BAS 04435569
TL;DR: BAS 04435569 (CAS 331269-11-5) is a chemical compound with molecular formula C18H13ClN2OS2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: BAS 04435569, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzothiophene-2-carboxamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen- 2-yl))carboxamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzo[b]thiophene-2-carboxamide
| Molecular Formula | C18H13ClN2OS2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 5.61898 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.01578 |
| Heavy Atoms | 24 |
| Complexity | 996.52057 |
Chemical Identifiers
| CAS Number | 331269-11-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C#N |
Product Overview
BAS 04435569 (CAS 331269-11-5), with molecular formula C18H13ClN2OS2 and molecular weight 372.02 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 04435569
Property Insights of BAS 04435569
The XLogP value of 5.61898 indicates that BAS 04435569 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 04435569 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04435569 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04435569?
The CAS number of BAS 04435569 is 331269-11-5.
What is the molecular formula of BAS 04435569?
The molecular formula of BAS 04435569 is C18H13ClN2OS2.
What is the molecular weight of BAS 04435569?
The molecular weight of BAS 04435569 is 372.02 g/mol.
Where can I buy BAS 04435569?
You can request a quote for BAS 04435569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04435569?
Yes, KEHONG BIO provides custom synthesis services for BAS 04435569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.