CBKinase1_003057
TL;DR: CBKinase1_003057 (CAS 692771-08-7) is a chemical compound with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[[5-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003057, CBKinase1_015457, BRD-K42543219-001-01-9, N-(4-chloro-2-methylphenyl)-2-[[5-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-2-methylphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C25H23ClN4O3S |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 5.64412 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.11795 |
| Heavy Atoms | 34 |
| Complexity | 1288.771 |
Chemical Identifiers
| CAS Number | 692771-08-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC(=C4)OC)OC |
Product Overview
CBKinase1_003057 (CAS 692771-08-7), with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[[5-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003057
Property Insights of CBKinase1_003057
The XLogP value of 5.64412 indicates that CBKinase1_003057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003057. Following Lipinski's Rule of Five, CBKinase1_003057 has 1 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 CBKinase1_003057?
The CAS number of CBKinase1_003057 is 692771-08-7.
What is the molecular formula of CBKinase1_003057?
The molecular formula of CBKinase1_003057 is C25H23ClN4O3S.
What is the molecular weight of CBKinase1_003057?
The molecular weight of CBKinase1_003057 is 494.12 g/mol.
Where can I buy CBKinase1_003057?
You can request a quote for CBKinase1_003057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003057?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.