CBKinase1_003967
TL;DR: CBKinase1_003967 (CAS 694455-49-7) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: CBKinase1_003967, CBKinase1_016367, AO-080/41818325, BRD-K75122476-001-01-0, 2-((5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.1713 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 890.83685 |
Chemical Identifiers
| CAS Number | 694455-49-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3O |
Product Overview
CBKinase1_003967 (CAS 694455-49-7), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of CBKinase1_003967
Property Insights of CBKinase1_003967
The XLogP value of 3.1713 indicates that CBKinase1_003967 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003967. Following Lipinski's Rule of Five, CBKinase1_003967 has 1 hydrogen bond donor(s) and 6 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_003967?
The CAS number of CBKinase1_003967 is 694455-49-7.
What is the molecular formula of CBKinase1_003967?
The molecular formula of CBKinase1_003967 is C18H17N3O3S.
What is the molecular weight of CBKinase1_003967?
The molecular weight of CBKinase1_003967 is 355.10 g/mol.
Where can I buy CBKinase1_003967?
You can request a quote for CBKinase1_003967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003967?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.