BAS 03538736
TL;DR: BAS 03538736 (CAS 797809-93-9) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-benzamido-2-oxo-2-thiophen-2-ylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 03538736, 2-({2-oxo-1-[(phenylcarbonyl)amino]-2-(thiophen-2-yl)ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(1-benzamido-2-oxo-2-thiophen-2-ylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[2-oxo-1-(phenylformamido)-2-(thiophen-2-yl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 3.8382 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1074.7552 |
Chemical Identifiers
| CAS Number | 797809-93-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(C(=O)C3=CC=CS3)NC(=O)C4=CC=CC=C4)C(=O)N |
Product Overview
BAS 03538736 (CAS 797809-93-9), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: 2-[(1-benzamido-2-oxo-2-thiophen-2-ylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 03538736
Property Insights of BAS 03538736
The XLogP value of 3.8382 indicates that BAS 03538736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03538736. Following Lipinski's Rule of Five, BAS 03538736 has 3 hydrogen bond donor(s) and 6 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 BAS 03538736?
The CAS number of BAS 03538736 is 797809-93-9.
What is the molecular formula of BAS 03538736?
The molecular formula of BAS 03538736 is C22H21N3O3S2.
What is the molecular weight of BAS 03538736?
The molecular weight of BAS 03538736 is 439.10 g/mol.
Where can I buy BAS 03538736?
You can request a quote for BAS 03538736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03538736?
Yes, KEHONG BIO provides custom synthesis services for BAS 03538736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.