CBKinase1_002992
TL;DR: CBKinase1_002992 (CAS 692775-38-5) is a chemical compound with molecular formula C21H17ClN4OS2 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002992, CBKinase1_015392, BRD-K09643460-001-01-4, N-(4-chloro-2-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-chloro-2-methyl-phenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H17ClN4OS2 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 5.68842 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.05322 |
| Heavy Atoms | 29 |
| Complexity | 1127.0608 |
Chemical Identifiers
| CAS Number | 692775-38-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 |
Product Overview
CBKinase1_002992 (CAS 692775-38-5), with molecular formula C21H17ClN4OS2 and molecular weight 440.05 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002992
Property Insights of CBKinase1_002992
The XLogP value of 5.68842 indicates that CBKinase1_002992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_002992 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002992 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002992?
The CAS number of CBKinase1_002992 is 692775-38-5.
What is the molecular formula of CBKinase1_002992?
The molecular formula of CBKinase1_002992 is C21H17ClN4OS2.
What is the molecular weight of CBKinase1_002992?
The molecular weight of CBKinase1_002992 is 440.05 g/mol.
Where can I buy CBKinase1_002992?
You can request a quote for CBKinase1_002992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002992?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.