CBKinase1_011314
TL;DR: CBKinase1_011314 (CAS 498550-79-1) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: CBKinase1_011314, CBKinase1_023714, BAS 04210652, 2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone, BRD-K80179323-001-01-8
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.0587 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 794.6021 |
Chemical Identifiers
| CAS Number | 498550-79-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CO3 |
Product Overview
CBKinase1_011314 (CAS 498550-79-1), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of CBKinase1_011314
Property Insights of CBKinase1_011314
The XLogP value of 3.0587 indicates that CBKinase1_011314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011314. Following Lipinski's Rule of Five, CBKinase1_011314 has 0 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_011314?
The CAS number of CBKinase1_011314 is 498550-79-1.
What is the molecular formula of CBKinase1_011314?
The molecular formula of CBKinase1_011314 is C16H15N3O3S.
What is the molecular weight of CBKinase1_011314?
The molecular weight of CBKinase1_011314 is 329.08 g/mol.
Where can I buy CBKinase1_011314?
You can request a quote for CBKinase1_011314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011314?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.