BAS 06901314
TL;DR: BAS 06901314 (CAS 625376-94-5) is a chemical compound with molecular formula C19H15F3N2O4S and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoate
Also Known As: BAS 06901314, AM-807/41462784, ethyl 3-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoate, ethyl 3-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate, 3-(6-Benzo[1,3]dioxol-5-yl-3-cyano-4-trifluoromethyl-pyridin-2-ylsulfanyl)-propionic acid ethyl ester
| Molecular Formula | C19H15F3N2O4S |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 4.41308 |
| Topological Polar Surface Area | 81.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.07047 |
| Heavy Atoms | 29 |
| Complexity | 973.14734 |
Chemical Identifiers
| CAS Number | 625376-94-5 |
|---|---|
| SMILES | CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N |
Product Overview
BAS 06901314 (CAS 625376-94-5), with molecular formula C19H15F3N2O4S and molecular weight 424.07 g/mol. IUPAC: ethyl 3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoate.
Chemical Property Profile of BAS 06901314
Property Insights of BAS 06901314
The XLogP value of 4.41308 indicates that BAS 06901314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06901314. Following Lipinski's Rule of Five, BAS 06901314 has 0 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 06901314?
The CAS number of BAS 06901314 is 625376-94-5.
What is the molecular formula of BAS 06901314?
The molecular formula of BAS 06901314 is C19H15F3N2O4S.
What is the molecular weight of BAS 06901314?
The molecular weight of BAS 06901314 is 424.07 g/mol.
Where can I buy BAS 06901314?
You can request a quote for BAS 06901314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901314?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.