N-Boc-indoline-7-carboxylic acid - CAS 143262-20-8
Catalog: |
BB009532 |
Product Name: |
N-Boc-indoline-7-carboxylic acid |
CAS: |
143262-20-8 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-7-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-7-carboxylic acid |
Description: | N-Boc-indoline-7-carboxylic acid (CAS# 143262-20-8) is a reagent used in the preparation of potent and selective EP4 receptor ligands. |
Molecular Weight: | 263.29 |
Molecular Formula: | C14H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=CC=CC(=C21)C(=O)O |
InChI: | InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-7-9-5-4-6-10(11(9)15)12(16)17/h4-6H,7-8H2,1-3H3,(H,16,17) |
InChI Key: | SUAMIYWLXFROHE-UHFFFAOYSA-N |
Boiling Point: | 401.2 °C at 760 mmHg |
Density: | 1.257 g/cm3 |
Appearance: | White to tan powder or crystals |
LogP: | 2.74740 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3227275-B1 | Cd38 inhibitors and methods of treatment | 20141203 |
US-2017260164-A1 | Cd38 inhibitors and methods of treatment | 20141203 |
US-9840496-B2 | CD38 inhibitors and methods of treatment | 20141203 |
EP-3061781-A1 | Polyol composition | 20131024 |
EP-3061781-B1 | Polyol composition | 20131024 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Indolines
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