ChemDiv3_008286
TL;DR: ChemDiv3_008286 (CAS 796879-75-9) 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.
ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv3_008286, IDI1_026196, ETHYL 5-CYANO-4-(FURAN-2-YL)-2-PHENYL-6-{[(PHENYLCARBAMOYL)METHYL]SULFANYL}-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, ethyl 5-cyano-4-(furan-2-yl)-6-((2-oxo-2-(phenylamino)ethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-(furan-2-yl)-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.04788 |
| 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 | 1293.209 |
Chemical Identifiers
| CAS Number | 796879-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ChemDiv3_008286 (CAS 796879-75-9), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_008286
Property Insights of ChemDiv3_008286
The XLogP value of 5.04788 indicates that ChemDiv3_008286 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 ChemDiv3_008286. Following Lipinski's Rule of Five, ChemDiv3_008286 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 ChemDiv3_008286?
The CAS number of ChemDiv3_008286 is 796879-75-9.
What is the molecular formula of ChemDiv3_008286?
The molecular formula of ChemDiv3_008286 is C27H23N3O4S.
What is the molecular weight of ChemDiv3_008286?
The molecular weight of ChemDiv3_008286 is 485.14 g/mol.
Where can I buy ChemDiv3_008286?
You can request a quote for ChemDiv3_008286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008286?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.