CBKinase1_007586
TL;DR: CBKinase1_007586 (CAS 335396-47-9) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_007586, CBKinase1_019986, BAS 02255262, BRD-K28207374-001-01-0, methyl 2-[({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.0081 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1017.5756 |
Chemical Identifiers
| CAS Number | 335396-47-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
CBKinase1_007586 (CAS 335396-47-9), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: methyl 2-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_007586
Property Insights of CBKinase1_007586
The XLogP value of 3.0081 indicates that CBKinase1_007586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007586. Following Lipinski's Rule of Five, CBKinase1_007586 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_007586?
The CAS number of CBKinase1_007586 is 335396-47-9.
What is the molecular formula of CBKinase1_007586?
The molecular formula of CBKinase1_007586 is C20H20N4O4S.
What is the molecular weight of CBKinase1_007586?
The molecular weight of CBKinase1_007586 is 412.12 g/mol.
Where can I buy CBKinase1_007586?
You can request a quote for CBKinase1_007586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007586?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.