BAS 00355772
TL;DR: BAS 00355772 (CAS 331255-53-9) is a chemical compound with molecular formula C23H20Cl2N2O2S2 and molecular weight 490.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 00355772, 3-chloro-N-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-(3-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide, N,N'-(2,2-dimethylpropane-1,3-diyl)bis(3-chloro-1-benzothiophene-2-carboxamide), 3-chloro-N-{3-[(3-chloro-1-benzothiophen-2-yl)formamido]-2,2-dimethylpropyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H20Cl2N2O2S2 |
|---|---|
| Molecular Weight | 490.03 g/mol |
| LogP | 6.6088 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.03433 |
| Heavy Atoms | 31 |
| Complexity | 1195.462 |
Chemical Identifiers
| CAS Number | 331255-53-9 |
|---|---|
| SMILES | CC(C)(CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 00355772 (CAS 331255-53-9), with molecular formula C23H20Cl2N2O2S2 and molecular weight 490.03 g/mol. IUPAC: 3-chloro-N-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00355772
Property Insights of BAS 00355772
The XLogP value of 6.6088 indicates that BAS 00355772 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, BAS 00355772 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00355772 has 2 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 00355772?
The CAS number of BAS 00355772 is 331255-53-9.
What is the molecular formula of BAS 00355772?
The molecular formula of BAS 00355772 is C23H20Cl2N2O2S2.
What is the molecular weight of BAS 00355772?
The molecular weight of BAS 00355772 is 490.03 g/mol.
Where can I buy BAS 00355772?
You can request a quote for BAS 00355772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00355772?
Yes, KEHONG BIO provides custom synthesis services for BAS 00355772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.