BAS 06900543
TL;DR: BAS 06900543 (CAS 445380-99-4) is a chemical compound with molecular formula C21H13ClFN3O3S and molecular weight 441.04 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-(3-chloro-4-fluorophenyl)acetamide
Also Known As: BAS 06900543, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide, AM-807/13616751, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(3-chloro-4-fluorophenyl)acetamide
| Molecular Formula | C21H13ClFN3O3S |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 4.87228 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.035 |
| Heavy Atoms | 30 |
| Complexity | 1182.6436 |
Chemical Identifiers
| CAS Number | 445380-99-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
BAS 06900543 (CAS 445380-99-4), with molecular formula C21H13ClFN3O3S and molecular weight 441.04 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide.
Chemical Property Profile of BAS 06900543
Property Insights of BAS 06900543
The XLogP value of 4.87228 indicates that BAS 06900543 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 06900543. Following Lipinski's Rule of Five, BAS 06900543 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 06900543?
The CAS number of BAS 06900543 is 445380-99-4.
What is the molecular formula of BAS 06900543?
The molecular formula of BAS 06900543 is C21H13ClFN3O3S.
What is the molecular weight of BAS 06900543?
The molecular weight of BAS 06900543 is 441.04 g/mol.
Where can I buy BAS 06900543?
You can request a quote for BAS 06900543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900543?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.