BAS 01280036
TL;DR: BAS 01280036 (CAS 332176-08-6) is a chemical compound with molecular formula C22H20Cl2N2OS2 and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
Also Known As: BAS 01280036, N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide, (3,6-dichlorobenzo[b]thiophen-2-yl)-N-[6-(tert-butyl)-3-cyano(4,5,6,7-tetrahyd robenzo[b]thiophen-2-yl)]carboxamide, 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid (6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
| Molecular Formula | C22H20Cl2N2OS2 |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 7.54458 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.0394 |
| Heavy Atoms | 29 |
| Complexity | 1164.375 |
Chemical Identifiers
| CAS Number | 332176-08-6 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
BAS 01280036 (CAS 332176-08-6), with molecular formula C22H20Cl2N2OS2 and molecular weight 462.04 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 01280036
Property Insights of BAS 01280036
The XLogP value of 7.54458 indicates that BAS 01280036 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 01280036 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01280036 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 01280036?
The CAS number of BAS 01280036 is 332176-08-6.
What is the molecular formula of BAS 01280036?
The molecular formula of BAS 01280036 is C22H20Cl2N2OS2.
What is the molecular weight of BAS 01280036?
The molecular weight of BAS 01280036 is 462.04 g/mol.
Where can I buy BAS 01280036?
You can request a quote for BAS 01280036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01280036?
Yes, KEHONG BIO provides custom synthesis services for BAS 01280036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.