CBKinase1_003413
TL;DR: CBKinase1_003413 (CAS 693256-61-0) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_003413, CBKinase1_015813, BRD-K83701022-001-01-0, 4-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.70242 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 981.6903 |
Chemical Identifiers
| CAS Number | 693256-61-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C |
Product Overview
CBKinase1_003413 (CAS 693256-61-0), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 4-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of CBKinase1_003413
Property Insights of CBKinase1_003413
The XLogP value of 3.70242 indicates that CBKinase1_003413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003413. Following Lipinski's Rule of Five, CBKinase1_003413 has 2 hydrogen bond donor(s) and 5 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_003413?
The CAS number of CBKinase1_003413 is 693256-61-0.
What is the molecular formula of CBKinase1_003413?
The molecular formula of CBKinase1_003413 is C20H20N4O3S.
What is the molecular weight of CBKinase1_003413?
The molecular weight of CBKinase1_003413 is 396.13 g/mol.
Where can I buy CBKinase1_003413?
You can request a quote for CBKinase1_003413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003413?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.