ChemDiv1_009422
TL;DR: ChemDiv1_009422 (CAS 331852-32-5) is a chemical compound with molecular formula C18H14BrN3O2S2 and molecular weight 446.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_009422, BAS 00635146, BIM-0037316.P001, N-(4-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, F1154-0194
| Molecular Formula | C18H14BrN3O2S2 |
|---|---|
| Molecular Weight | 446.97 g/mol |
| LogP | 4.22118 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.97107 |
| Heavy Atoms | 26 |
| Complexity | 886.1601 |
Chemical Identifiers
| CAS Number | 331852-32-5 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CS3 |
Product Overview
ChemDiv1_009422 (CAS 331852-32-5), with molecular formula C18H14BrN3O2S2 and molecular weight 446.97 g/mol. IUPAC: N-(4-bromophenyl)-2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_009422
Property Insights of ChemDiv1_009422
The XLogP value of 4.22118 indicates that ChemDiv1_009422 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009422. Following Lipinski's Rule of Five, ChemDiv1_009422 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_009422?
The CAS number of ChemDiv1_009422 is 331852-32-5.
What is the molecular formula of ChemDiv1_009422?
The molecular formula of ChemDiv1_009422 is C18H14BrN3O2S2.
What is the molecular weight of ChemDiv1_009422?
The molecular weight of ChemDiv1_009422 is 446.97 g/mol.
Where can I buy ChemDiv1_009422?
You can request a quote for ChemDiv1_009422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009422?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.