BAS 06900564
TL;DR: BAS 06900564 (CAS 445381-81-7) is a chemical compound with molecular formula C21H16ClN5OS2 and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
Also Known As: BAS 06900564, AM-807/13617399, 2-((6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl)thio)-N-(3-chlorophenethyl)acetamide, 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-N-[2-(3-chlorophenyl)ethyl]acetamide, 2-{[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridinyl]sulfanyl}-N-[2-(3-chlorophenyl)ethyl]acetamide
| Molecular Formula | C21H16ClN5OS2 |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 4.24006 |
| Topological Polar Surface Area | 115.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.0485 |
| Heavy Atoms | 30 |
| Complexity | 1149.434 |
Chemical Identifiers
| CAS Number | 445381-81-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CCNC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N |
Product Overview
BAS 06900564 (CAS 445381-81-7), with molecular formula C21H16ClN5OS2 and molecular weight 453.05 g/mol. IUPAC: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide.
Chemical Property Profile of BAS 06900564
Property Insights of BAS 06900564
The XLogP value of 4.24006 indicates that BAS 06900564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900564. Following Lipinski's Rule of Five, BAS 06900564 has 2 hydrogen bond donor(s) and 7 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 06900564?
The CAS number of BAS 06900564 is 445381-81-7.
What is the molecular formula of BAS 06900564?
The molecular formula of BAS 06900564 is C21H16ClN5OS2.
What is the molecular weight of BAS 06900564?
The molecular weight of BAS 06900564 is 453.05 g/mol.
Where can I buy BAS 06900564?
You can request a quote for BAS 06900564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900564?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.