BAS 00865574
TL;DR: BAS 00865574 (CAS 277756-58-8) is a chemical compound with molecular formula C27H22FN3O2S2 and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865574, AE-848/11420847, 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide, 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H22FN3O2S2 |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 6.1464 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.11374 |
| Heavy Atoms | 35 |
| Complexity | 1370.1628 |
Chemical Identifiers
| CAS Number | 277756-58-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)F)C |
Product Overview
BAS 00865574 (CAS 277756-58-8), with molecular formula C27H22FN3O2S2 and molecular weight 503.11 g/mol. IUPAC: 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865574
Property Insights of BAS 00865574
The XLogP value of 6.1464 indicates that BAS 00865574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865574. Following Lipinski's Rule of Five, BAS 00865574 has 2 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 00865574?
The CAS number of BAS 00865574 is 277756-58-8.
What is the molecular formula of BAS 00865574?
The molecular formula of BAS 00865574 is C27H22FN3O2S2.
What is the molecular weight of BAS 00865574?
The molecular weight of BAS 00865574 is 503.11 g/mol.
Where can I buy BAS 00865574?
You can request a quote for BAS 00865574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865574?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.