CBKinase1_011378
TL;DR: CBKinase1_011378 (CAS 781629-19-4) 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-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
Also Known As: CBKinase1_011378, CBKinase1_023778, 1-(3,4-dimethoxyphenyl)-2-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)ethanone, BRD-K56618803-001-01-4, 1-(3,4-dimethoxyphenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethanone
| 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 | 781629-19-4 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=CC(=C(C=C3)OC)OC)C |
Product Overview
CBKinase1_011378 (CAS 781629-19-4), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_011378
Property Insights of CBKinase1_011378
The XLogP value of 2.73334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011378. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011378. Following Lipinski's Rule of Five, CBKinase1_011378 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_011378?
The CAS number of CBKinase1_011378 is 781629-19-4.
What is the molecular formula of CBKinase1_011378?
The molecular formula of CBKinase1_011378 is C17H18N4O3S.
What is the molecular weight of CBKinase1_011378?
The molecular weight of CBKinase1_011378 is 358.11 g/mol.
Where can I buy CBKinase1_011378?
You can request a quote for CBKinase1_011378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011378?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.