ChemDiv1_008131
TL;DR: ChemDiv1_008131 (CAS 315247-06-4) is a chemical compound with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_008131, DivK1c_002771, CDS1_001731, SDCCGSBI-0660509.P001, N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H18BrN3OS |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 4.6338 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.0354 |
| Heavy Atoms | 25 |
| Complexity | 843.2282 |
Chemical Identifiers
| CAS Number | 315247-06-4 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N |
Product Overview
ChemDiv1_008131 (CAS 315247-06-4), with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_008131
Property Insights of ChemDiv1_008131
The XLogP value of 4.6338 indicates that ChemDiv1_008131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008131. Following Lipinski's Rule of Five, ChemDiv1_008131 has 1 hydrogen bond donor(s) and 4 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_008131?
The CAS number of ChemDiv1_008131 is 315247-06-4.
What is the molecular formula of ChemDiv1_008131?
The molecular formula of ChemDiv1_008131 is C19H18BrN3OS.
What is the molecular weight of ChemDiv1_008131?
The molecular weight of ChemDiv1_008131 is 415.04 g/mol.
Where can I buy ChemDiv1_008131?
You can request a quote for ChemDiv1_008131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008131?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.