CBKinase1_006960
TL;DR: CBKinase1_006960 (CAS 1042693-22-0) is a chemical compound with molecular formula C20H21ClN4O3S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Also Known As: CBKinase1_006960, CBKinase1_019360, VU0512747-1, F3177-0011, N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
| Molecular Formula | C20H21ClN4O3S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 2.8746 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1023 |
| Heavy Atoms | 29 |
| Complexity | 909.85425 |
Chemical Identifiers
| CAS Number | 1042693-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3 |
Product Overview
CBKinase1_006960 (CAS 1042693-22-0), with molecular formula C20H21ClN4O3S and molecular weight 432.10 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide.
Chemical Property Profile of CBKinase1_006960
Property Insights of CBKinase1_006960
The XLogP value of 2.8746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006960. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006960. Following Lipinski's Rule of Five, CBKinase1_006960 has 3 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 CBKinase1_006960?
The CAS number of CBKinase1_006960 is 1042693-22-0.
What is the molecular formula of CBKinase1_006960?
The molecular formula of CBKinase1_006960 is C20H21ClN4O3S.
What is the molecular weight of CBKinase1_006960?
The molecular weight of CBKinase1_006960 is 432.10 g/mol.
Where can I buy CBKinase1_006960?
You can request a quote for CBKinase1_006960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006960?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.