ChemDiv1_009162
TL;DR: ChemDiv1_009162 (CAS 375359-57-2) is a chemical compound with molecular formula C20H17BrN2O3S and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: ChemDiv1_009162, BAS 02589899, BIM-0037259.P001, 2-(benzylthio)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, F0422-0363
| Molecular Formula | C20H17BrN2O3S |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | 4.43538 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.01434 |
| Heavy Atoms | 27 |
| Complexity | 938.2333 |
Chemical Identifiers
| CAS Number | 375359-57-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)Br)O |
Product Overview
ChemDiv1_009162 (CAS 375359-57-2), with molecular formula C20H17BrN2O3S and molecular weight 444.01 g/mol. IUPAC: 6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of ChemDiv1_009162
Property Insights of ChemDiv1_009162
The XLogP value of 4.43538 indicates that ChemDiv1_009162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009162. Following Lipinski's Rule of Five, ChemDiv1_009162 has 2 hydrogen bond donor(s) and 5 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 ChemDiv1_009162?
The CAS number of ChemDiv1_009162 is 375359-57-2.
What is the molecular formula of ChemDiv1_009162?
The molecular formula of ChemDiv1_009162 is C20H17BrN2O3S.
What is the molecular weight of ChemDiv1_009162?
The molecular weight of ChemDiv1_009162 is 444.01 g/mol.
Where can I buy ChemDiv1_009162?
You can request a quote for ChemDiv1_009162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009162?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.