AB00094035-01
TL;DR: AB00094035-01 (CAS 420094-16-2) is a chemical compound with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00094035-01, 6-ethyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-ethyl-2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene -3-carboxamide, 6-ethyl-2-{[(4-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H22N2O3S |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.6228 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1351 |
| Heavy Atoms | 25 |
| Complexity | 795.74567 |
Chemical Identifiers
| CAS Number | 420094-16-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)OC |
Product Overview
AB00094035-01 (CAS 420094-16-2), with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol. IUPAC: 6-ethyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00094035-01
Property Insights of AB00094035-01
The XLogP value of 3.6228 indicates that AB00094035-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094035-01. Following Lipinski's Rule of Five, AB00094035-01 has 2 hydrogen bond donor(s) and 4 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 AB00094035-01?
The CAS number of AB00094035-01 is 420094-16-2.
What is the molecular formula of AB00094035-01?
The molecular formula of AB00094035-01 is C19H22N2O3S.
What is the molecular weight of AB00094035-01?
The molecular weight of AB00094035-01 is 358.14 g/mol.
Where can I buy AB00094035-01?
You can request a quote for AB00094035-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094035-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094035-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.