CBKinase1_005169
TL;DR: CBKinase1_005169 (CAS 586997-48-0) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_005169, CBKinase1_017569, AH-487/42276977, methyl 2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, BRD-K52254256-001-01-4
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.3841 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 913.52655 |
Chemical Identifiers
| CAS Number | 586997-48-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 |
Product Overview
CBKinase1_005169 (CAS 586997-48-0), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: methyl 2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_005169
Property Insights of CBKinase1_005169
The XLogP value of 2.3841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005169. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005169. Following Lipinski's Rule of Five, CBKinase1_005169 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_005169?
The CAS number of CBKinase1_005169 is 586997-48-0.
What is the molecular formula of CBKinase1_005169?
The molecular formula of CBKinase1_005169 is C17H15N5O3S.
What is the molecular weight of CBKinase1_005169?
The molecular weight of CBKinase1_005169 is 369.09 g/mol.
Where can I buy CBKinase1_005169?
You can request a quote for CBKinase1_005169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005169?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.