N-Boc-4,5,6,7-tetrahydrothiopheno[3,2-c]pyridine-2-carboxylic acid - CAS 165947-48-8
Catalog: |
BB012235 |
Product Name: |
N-Boc-4,5,6,7-tetrahydrothiopheno[3,2-c]pyridine-2-carboxylic acid |
CAS: |
165947-48-8 |
Synonyms: |
5-[(2-methylpropan-2-yl)oxy-oxomethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid; 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid |
IUPAC Name: | 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid |
Description: | N-Boc-4,5,6,7-tetrahydrothiopheno[3,2-c]pyridine-2-carboxylic acid (CAS# 165947-48-8) is a useful research chemical. |
Molecular Weight: | 283.34 |
Molecular Formula: | C13H17NO4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C(=O)O |
InChI: | InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-9-8(7-14)6-10(19-9)11(15)16/h6H,4-5,7H2,1-3H3,(H,15,16) |
InChI Key: | VYACEHZLOWZZEV-UHFFFAOYSA-N |
Boiling Point: | 453.2 °C at 760 mmHg |
Density: | 1.308 g/cm3 |
MDL: | MFCD08448165 |
LogP: | 2.67740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021179612-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021113686-A1 | Masp-2 inhibitors and methods of use | 20191204 |
CN-111233974-A | Polypeptide compound, pharmaceutical composition, preparation method and application | 20191112 |
CN-111233974-B | Polypeptide compound, pharmaceutical composition, preparation method and application | 20191112 |
EP-3825322-A1 | Polypeptide compound, pharmaceutical composition, preparation method and application thereof | 20191112 |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.08782920 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.08782920 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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