BAS 06900544
TL;DR: BAS 06900544 (CAS 445381-00-0) is a chemical compound with molecular formula C21H13F2N3O3S and molecular weight 425.06 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-(3,4-difluorophenyl)acetamide
Also Known As: BAS 06900544, AM-807/13616753, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C21H13F2N3O3S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 4.35798 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.06458 |
| Heavy Atoms | 30 |
| Complexity | 1180.6436 |
Chemical Identifiers
| CAS Number | 445381-00-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)F)F |
Product Overview
BAS 06900544 (CAS 445381-00-0), with molecular formula C21H13F2N3O3S and molecular weight 425.06 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of BAS 06900544
Property Insights of BAS 06900544
The XLogP value of 4.35798 indicates that BAS 06900544 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 06900544. Following Lipinski's Rule of Five, BAS 06900544 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 06900544?
The CAS number of BAS 06900544 is 445381-00-0.
What is the molecular formula of BAS 06900544?
The molecular formula of BAS 06900544 is C21H13F2N3O3S.
What is the molecular weight of BAS 06900544?
The molecular weight of BAS 06900544 is 425.06 g/mol.
Where can I buy BAS 06900544?
You can request a quote for BAS 06900544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900544?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.