BAS 00865799
TL;DR: BAS 00865799 (CAS 313704-87-9) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865799, 5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, AE-848/37018133, F0894-0206, A2182/0091696
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.23898 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1321.0057 |
Chemical Identifiers
| CAS Number | 313704-87-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 |
Product Overview
BAS 00865799 (CAS 313704-87-9), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: 5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865799
Property Insights of BAS 00865799
The XLogP value of 5.23898 indicates that BAS 00865799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865799. Following Lipinski's Rule of Five, BAS 00865799 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865799?
The CAS number of BAS 00865799 is 313704-87-9.
What is the molecular formula of BAS 00865799?
The molecular formula of BAS 00865799 is C27H23N3O4S.
What is the molecular weight of BAS 00865799?
The molecular weight of BAS 00865799 is 485.14 g/mol.
Where can I buy BAS 00865799?
You can request a quote for BAS 00865799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865799?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.