N-Boc-α-(phenylsulfonyl)-4-methoxybenzylamine - CAS 741259-87-0
Catalog: |
BB034993 |
Product Name: |
N-Boc-α-(phenylsulfonyl)-4-methoxybenzylamine |
CAS: |
741259-87-0 |
Synonyms: |
tert-butyl N-[benzenesulfonyl-(4-methoxyphenyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[benzenesulfonyl-(4-methoxyphenyl)methyl]carbamate |
Description: | N-Boc-α-(phenylsulfonyl)-4-methoxybenzylamine (CAS# 741259-87-0 ) is a useful research chemical. |
Molecular Weight: | 377.45 |
Molecular Formula: | C19H23NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C19H23NO5S/c1-19(2,3)25-18(21)20-17(14-10-12-15(24-4)13-11-14)26(22,23)16-8-6-5-7-9-16/h5-13,17H,1-4H3,(H,20,21) |
InChI Key: | JBOXLVHIHXWCPQ-UHFFFAOYSA-N |
LogP: | 5.16410 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2292639-A1 | Tubulisine derivatives as anticancer drugs | 20090722 |
EP-2292639-B1 | Tubulisine derivatives as anticancer drugs | 20090722 |
US-8580820-B2 | Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof | 20090722 |
Complexity: | 550 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.12969401 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.12969401 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 90.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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