CBKinase1_007716
TL;DR: CBKinase1_007716 (CAS 709001-41-2) is a chemical compound with molecular formula C23H20ClN5O3S and molecular weight 481.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007716, CBKinase1_020116, BRD-K72839207-001-01-8, N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H20ClN5O3S |
|---|---|
| Molecular Weight | 481.10 g/mol |
| LogP | 4.7307 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.09753 |
| Heavy Atoms | 33 |
| Complexity | 1251.9539 |
Chemical Identifiers
| CAS Number | 709001-41-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)Cl)OC |
Product Overview
CBKinase1_007716 (CAS 709001-41-2), with molecular formula C23H20ClN5O3S and molecular weight 481.10 g/mol. IUPAC: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007716
Property Insights of CBKinase1_007716
The XLogP value of 4.7307 indicates that CBKinase1_007716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007716. Following Lipinski's Rule of Five, CBKinase1_007716 has 1 hydrogen bond donor(s) and 7 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_007716?
The CAS number of CBKinase1_007716 is 709001-41-2.
What is the molecular formula of CBKinase1_007716?
The molecular formula of CBKinase1_007716 is C23H20ClN5O3S.
What is the molecular weight of CBKinase1_007716?
The molecular weight of CBKinase1_007716 is 481.10 g/mol.
Where can I buy CBKinase1_007716?
You can request a quote for CBKinase1_007716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007716?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.