CBKinase1_008083
TL;DR: CBKinase1_008083 (CAS 712333-74-9) is a chemical compound with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-chloro-2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: CBKinase1_008083, CBKinase1_020483, BRD-K15609997-001-01-9, 2-((5-(5-chloro-2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-[[(5E)-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C19H19ClN4O3S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 3.9706 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.08664 |
| Heavy Atoms | 28 |
| Complexity | 975.8101 |
Chemical Identifiers
| CAS Number | 712333-74-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=C(C=CC(=C3)Cl)O |
Product Overview
CBKinase1_008083 (CAS 712333-74-9), with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol. IUPAC: 2-[[5-(5-chloro-2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_008083
Property Insights of CBKinase1_008083
The XLogP value of 3.9706 indicates that CBKinase1_008083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008083. Following Lipinski's Rule of Five, CBKinase1_008083 has 2 hydrogen bond donor(s) and 6 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_008083?
The CAS number of CBKinase1_008083 is 712333-74-9.
What is the molecular formula of CBKinase1_008083?
The molecular formula of CBKinase1_008083 is C19H19ClN4O3S.
What is the molecular weight of CBKinase1_008083?
The molecular weight of CBKinase1_008083 is 418.09 g/mol.
Where can I buy CBKinase1_008083?
You can request a quote for CBKinase1_008083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008083?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.