ChemDiv3_003460
TL;DR: ChemDiv3_003460 (CAS 488743-73-3) is a chemical compound with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv3_003460, IDI1_021370, AE-848/41151203, BRD-A25140441-001-01-7, methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H20FN3O4S |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 2.61308 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.11584 |
| Heavy Atoms | 32 |
| Complexity | 1097.9204 |
Chemical Identifiers
| CAS Number | 488743-73-3 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F |
Product Overview
ChemDiv3_003460 (CAS 488743-73-3), with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol. IUPAC: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv3_003460
Property Insights of ChemDiv3_003460
The XLogP value of 2.61308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003460. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003460. Following Lipinski's Rule of Five, ChemDiv3_003460 has 2 hydrogen bond donor(s) and 6 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 ChemDiv3_003460?
The CAS number of ChemDiv3_003460 is 488743-73-3.
What is the molecular formula of ChemDiv3_003460?
The molecular formula of ChemDiv3_003460 is C23H20FN3O4S.
What is the molecular weight of ChemDiv3_003460?
The molecular weight of ChemDiv3_003460 is 453.12 g/mol.
Where can I buy ChemDiv3_003460?
You can request a quote for ChemDiv3_003460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003460?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.