CBKinase1_009186
TL;DR: CBKinase1_009186 (CAS 712282-78-5) is a chemical compound with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_009186, CBKinase1_021586, BRD-K53701333-001-01-0, A4041/0172301, methyl 4-[({[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 1.7895 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 943.06244 |
Chemical Identifiers
| CAS Number | 712282-78-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NC=CN=C3 |
Product Overview
CBKinase1_009186 (CAS 712282-78-5), with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol. IUPAC: methyl 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_009186
Property Insights of CBKinase1_009186
The XLogP value of 1.7895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_009186. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009186. Following Lipinski's Rule of Five, CBKinase1_009186 has 1 hydrogen bond donor(s) and 8 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_009186?
The CAS number of CBKinase1_009186 is 712282-78-5.
What is the molecular formula of CBKinase1_009186?
The molecular formula of CBKinase1_009186 is C17H16N6O3S.
What is the molecular weight of CBKinase1_009186?
The molecular weight of CBKinase1_009186 is 384.10 g/mol.
Where can I buy CBKinase1_009186?
You can request a quote for CBKinase1_009186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009186?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.