ChemDiv1_009290
TL;DR: ChemDiv1_009290 (CAS 376369-53-8) is a chemical compound with molecular formula C23H20BrN3O5S and molecular weight 529.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_009290, F0422-0265, methyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C23H20BrN3O5S |
|---|---|
| Molecular Weight | 529.03 g/mol |
| LogP | 3.56738 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.0307 |
| Heavy Atoms | 33 |
| Complexity | 1143.531 |
Chemical Identifiers
| CAS Number | 376369-53-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OC |
Product Overview
ChemDiv1_009290 (CAS 376369-53-8), with molecular formula C23H20BrN3O5S and molecular weight 529.03 g/mol. IUPAC: methyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_009290
Property Insights of ChemDiv1_009290
The XLogP value of 3.56738 indicates that ChemDiv1_009290 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009290. Following Lipinski's Rule of Five, ChemDiv1_009290 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 ChemDiv1_009290?
The CAS number of ChemDiv1_009290 is 376369-53-8.
What is the molecular formula of ChemDiv1_009290?
The molecular formula of ChemDiv1_009290 is C23H20BrN3O5S.
What is the molecular weight of ChemDiv1_009290?
The molecular weight of ChemDiv1_009290 is 529.03 g/mol.
Where can I buy ChemDiv1_009290?
You can request a quote for ChemDiv1_009290 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009290?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009290 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.