3-Bromo-1-(phenylsulfonyl)indole - CAS 99655-68-2
Catalog: |
BB042324 |
Product Name: |
3-Bromo-1-(phenylsulfonyl)indole |
CAS: |
99655-68-2 |
Synonyms: |
1-(benzenesulfonyl)-3-bromoindole; 1-(benzenesulfonyl)-3-bromoindole |
IUPAC Name: | 1-(benzenesulfonyl)-3-bromoindole |
Description: | 3-Bromo-1-(phenylsulfonyl)indole (CAS# 99655-68-2) is a useful research chemical. |
Molecular Weight: | 336.20 |
Molecular Formula: | C14H10BrNO2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br |
InChI: | InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H |
InChI Key: | MXPFKHHDXIJNDX-UHFFFAOYSA-N |
Boiling Point: | 498 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
MDL: | MFCD02681986 |
LogP: | 4.72160 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
AU-2016283105-A1 | 4,6-pyrimidinylene derivatives and uses thereof | 20150626 |
EP-3313530-A1 | 4,6-pyrimidinylene derivatives and uses thereof | 20150626 |
JP-2018522866-A | 4,6-Pyrimidinylene derivatives and their use | 20150626 |
US-10695346-B2 | 4,6-pyrimidinylene derivatives and uses thereof | 20150626 |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.96156 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.96156 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
-
Catalog: BB050048
1-(2-Chlorobenzyl)-2-methyl-1H-indole-3-carbaldehyde
Detail
-
Catalog: BB042455
1-(2,3-Dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Detail
-
Catalog: BB047156
1-(2-Chloro-4-fluorobenzyl)-1H-indole-3-carbaldehyde
Detail
-
Catalog: BB048871
1-(1-Ethyl-1H-pyrazol-4-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline hydrochloride
Detail
-
Catalog: BB053069
(1H-Indol-2-yl)methanamine hydrochloride
Detail
-
Catalog: BB077589
(E)-3-(2-(2-hydroxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate
Detail
-
Catalog: BB042763
1-(1-Ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
Detail
-
Catalog: BB048648
(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(1-naphthyl)butanamide
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Indoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS