ChemDiv3_012944
TL;DR: ChemDiv3_012944 (CAS 689266-95-3) is a chemical compound with molecular formula C20H16ClN5OS2 and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]acetamide
Also Known As: ChemDiv3_012944, BRD-K31603349-001-01-7, N-(3-chlorobenzyl)-2-(2-((2-thioxo-1,2-dihydroquinazolin-4-yl)amino)thiazol-4-yl)acetamide, N-[(3-chlorophenyl)methyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]acetamide, N-[(3-chlorophenyl)methyl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
| Molecular Formula | C20H16ClN5OS2 |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 5.00479 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.0485 |
| Heavy Atoms | 29 |
| Complexity | 1236.759 |
Chemical Identifiers
| CAS Number | 689266-95-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=NC(=CS3)CC(=O)NCC4=CC(=CC=C4)Cl |
Product Overview
ChemDiv3_012944 (CAS 689266-95-3), with molecular formula C20H16ClN5OS2 and molecular weight 441.05 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]acetamide.
Chemical Property Profile of ChemDiv3_012944
Property Insights of ChemDiv3_012944
The XLogP value of 5.00479 indicates that ChemDiv3_012944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012944. Following Lipinski's Rule of Five, ChemDiv3_012944 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_012944?
The CAS number of ChemDiv3_012944 is 689266-95-3.
What is the molecular formula of ChemDiv3_012944?
The molecular formula of ChemDiv3_012944 is C20H16ClN5OS2.
What is the molecular weight of ChemDiv3_012944?
The molecular weight of ChemDiv3_012944 is 441.05 g/mol.
Where can I buy ChemDiv3_012944?
You can request a quote for ChemDiv3_012944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012944?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.