CBKinase1_011172
TL;DR: CBKinase1_011172 (CAS 831187-11-2) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]ethanone
Also Known As: CBKinase1_011172, CBKinase1_023572, UPCMLD0ENAT5757006:001, 1-(3,4-dimethoxyphenyl)-2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]ethanone, BRD-K57810988-001-01-3
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.73334 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 939.03284 |
Chemical Identifiers
| CAS Number | 831187-11-2 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)SCC(=O)C3=CC(=C(C=C3)OC)OC)C |
Product Overview
CBKinase1_011172 (CAS 831187-11-2), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_011172
Property Insights of CBKinase1_011172
The XLogP value of 2.73334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011172. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011172. Following Lipinski's Rule of Five, CBKinase1_011172 has 0 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_011172?
The CAS number of CBKinase1_011172 is 831187-11-2.
What is the molecular formula of CBKinase1_011172?
The molecular formula of CBKinase1_011172 is C17H18N4O3S.
What is the molecular weight of CBKinase1_011172?
The molecular weight of CBKinase1_011172 is 358.11 g/mol.
Where can I buy CBKinase1_011172?
You can request a quote for CBKinase1_011172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011172?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.