CBKinase1_001589
TL;DR: CBKinase1_001589 (CAS 430444-87-4) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_001589, CBKinase1_013989, AB00112435-01, BRD-K66182568-001-01-4, methyl 4-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.5817 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 1001.05865 |
Chemical Identifiers
| CAS Number | 430444-87-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)N |
Product Overview
CBKinase1_001589 (CAS 430444-87-4), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: methyl 4-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_001589
Property Insights of CBKinase1_001589
The XLogP value of 2.5817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_001589. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001589. Following Lipinski's Rule of Five, CBKinase1_001589 has 2 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_001589?
The CAS number of CBKinase1_001589 is 430444-87-4.
What is the molecular formula of CBKinase1_001589?
The molecular formula of CBKinase1_001589 is C19H19N5O3S.
What is the molecular weight of CBKinase1_001589?
The molecular weight of CBKinase1_001589 is 397.12 g/mol.
Where can I buy CBKinase1_001589?
You can request a quote for CBKinase1_001589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001589?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.