CBKinase1_004371
TL;DR: CBKinase1_004371 (CAS 694467-73-7) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_004371, CBKinase1_016771, BRD-K28199500-001-01-6, methyl 3-[({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 3-(2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 3.6529 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 1004.6683 |
Chemical Identifiers
| CAS Number | 694467-73-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_004371 (CAS 694467-73-7), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: methyl 3-[[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_004371
Property Insights of CBKinase1_004371
The XLogP value of 3.6529 indicates that CBKinase1_004371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004371. Following Lipinski's Rule of Five, CBKinase1_004371 has 1 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_004371?
The CAS number of CBKinase1_004371 is 694467-73-7.
What is the molecular formula of CBKinase1_004371?
The molecular formula of CBKinase1_004371 is C19H17ClN4O3S.
What is the molecular weight of CBKinase1_004371?
The molecular weight of CBKinase1_004371 is 416.07 g/mol.
Where can I buy CBKinase1_004371?
You can request a quote for CBKinase1_004371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004371?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.