CBKinase1_001577
TL;DR: CBKinase1_001577 (CAS 332867-75-1) is a chemical compound with molecular formula C22H18N4O4S and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_001577, CBKinase1_013977, BAS 01855867, Methyl 2-[(([5-(2-furyl)-4-phenyl-4h-1,2,4-triazol-3-yl]thio)acetyl)amino]benzoate, AB00101047-01
| Molecular Formula | C22H18N4O4S |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 4.0447 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.1049 |
| Heavy Atoms | 31 |
| Complexity | 1189.4684 |
Chemical Identifiers
| CAS Number | 332867-75-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 |
Product Overview
CBKinase1_001577 (CAS 332867-75-1), with molecular formula C22H18N4O4S and molecular weight 434.10 g/mol. IUPAC: methyl 2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_001577
Property Insights of CBKinase1_001577
The XLogP value of 4.0447 indicates that CBKinase1_001577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001577. Following Lipinski's Rule of Five, CBKinase1_001577 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_001577?
The CAS number of CBKinase1_001577 is 332867-75-1.
What is the molecular formula of CBKinase1_001577?
The molecular formula of CBKinase1_001577 is C22H18N4O4S.
What is the molecular weight of CBKinase1_001577?
The molecular weight of CBKinase1_001577 is 434.10 g/mol.
Where can I buy CBKinase1_001577?
You can request a quote for CBKinase1_001577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001577?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.