BAS 06900686
TL;DR: BAS 06900686 (CAS 445385-91-1) is a chemical compound with molecular formula C21H19FN2O2S2 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: BAS 06900686, ethyl 5-cyano-6-[(4-fluorobenzyl)sulfanyl]-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, AM-807/14961082, ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-((4-fluorobenzyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C21H19FN2O2S2 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 5.07968 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0872 |
| Heavy Atoms | 28 |
| Complexity | 957.2919 |
Chemical Identifiers
| CAS Number | 445385-91-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)F)C |
Product Overview
BAS 06900686 (CAS 445385-91-1), with molecular formula C21H19FN2O2S2 and molecular weight 414.09 g/mol. IUPAC: ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of BAS 06900686
Property Insights of BAS 06900686
The XLogP value of 5.07968 indicates that BAS 06900686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900686. Following Lipinski's Rule of Five, BAS 06900686 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900686?
The CAS number of BAS 06900686 is 445385-91-1.
What is the molecular formula of BAS 06900686?
The molecular formula of BAS 06900686 is C21H19FN2O2S2.
What is the molecular weight of BAS 06900686?
The molecular weight of BAS 06900686 is 414.09 g/mol.
Where can I buy BAS 06900686?
You can request a quote for BAS 06900686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900686?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.