BAS 06900549
TL;DR: BAS 06900549 (CAS 445381-08-8) is a chemical compound with molecular formula C22H16FN3O3S and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
Also Known As: BAS 06900549, AM-807/13616782, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(5-fluoro-2-methylphenyl)acetamide, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
| Molecular Formula | C22H16FN3O3S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 4.5273 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.08963 |
| Heavy Atoms | 30 |
| Complexity | 1176.7748 |
Chemical Identifiers
| CAS Number | 445381-08-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N |
Product Overview
BAS 06900549 (CAS 445381-08-8), with molecular formula C22H16FN3O3S and molecular weight 421.09 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.
Chemical Property Profile of BAS 06900549
Property Insights of BAS 06900549
The XLogP value of 4.5273 indicates that BAS 06900549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900549. Following Lipinski's Rule of Five, BAS 06900549 has 1 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 06900549?
The CAS number of BAS 06900549 is 445381-08-8.
What is the molecular formula of BAS 06900549?
The molecular formula of BAS 06900549 is C22H16FN3O3S.
What is the molecular weight of BAS 06900549?
The molecular weight of BAS 06900549 is 421.09 g/mol.
Where can I buy BAS 06900549?
You can request a quote for BAS 06900549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900549?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.