ChemDiv3_012988
TL;DR: ChemDiv3_012988 (CAS 689267-09-2) is a chemical compound with molecular formula C23H21ClN6OS2 and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
Also Known As: ChemDiv3_012988, BRD-K43187563-001-01-6, 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one, 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone, 4-[(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]quinazoline-2(1H)-thione
| Molecular Formula | C23H21ClN6OS2 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 5.03719 |
| Topological Polar Surface Area | 77.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.09067 |
| Heavy Atoms | 33 |
| Complexity | 1362.3329 |
Chemical Identifiers
| CAS Number | 689267-09-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CSC(=N3)NC4=NC(=S)NC5=CC=CC=C54 |
Product Overview
ChemDiv3_012988 (CAS 689267-09-2), with molecular formula C23H21ClN6OS2 and molecular weight 496.09 g/mol. IUPAC: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone.
Chemical Property Profile of ChemDiv3_012988
Property Insights of ChemDiv3_012988
The XLogP value of 5.03719 indicates that ChemDiv3_012988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012988. Following Lipinski's Rule of Five, ChemDiv3_012988 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 ChemDiv3_012988?
The CAS number of ChemDiv3_012988 is 689267-09-2.
What is the molecular formula of ChemDiv3_012988?
The molecular formula of ChemDiv3_012988 is C23H21ClN6OS2.
What is the molecular weight of ChemDiv3_012988?
The molecular weight of ChemDiv3_012988 is 496.09 g/mol.
Where can I buy ChemDiv3_012988?
You can request a quote for ChemDiv3_012988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012988?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.