AB00117110-01
TL;DR: AB00117110-01 (CAS 431995-99-2) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00117110-01, 2-[(2-nitrobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (2-nitrophenyl)-N-[3-(N-prop-2-enylcarbamoyl)(4,5,6,7-tetrahydrobenzo[b]thioph en-2-yl)]carboxamide, 2-{[(2-nitrophenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.7032 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 919.67377 |
Chemical Identifiers
| CAS Number | 431995-99-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
AB00117110-01 (CAS 431995-99-2), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: 2-[(2-nitrobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00117110-01
Property Insights of AB00117110-01
The XLogP value of 3.7032 indicates that AB00117110-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117110-01. Following Lipinski's Rule of Five, AB00117110-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00117110-01?
The CAS number of AB00117110-01 is 431995-99-2.
What is the molecular formula of AB00117110-01?
The molecular formula of AB00117110-01 is C19H19N3O4S.
What is the molecular weight of AB00117110-01?
The molecular weight of AB00117110-01 is 385.11 g/mol.
Where can I buy AB00117110-01?
You can request a quote for AB00117110-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117110-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117110-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.