CBKinase1_001551
TL;DR: CBKinase1_001551 (CAS 327094-35-9) is a chemical compound with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_001551, CBKinase1_013951, AF-399/15599216, BRD-K11834337-001-01-6, 1-(4-chlorophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C25H22ClN3O4S |
|---|---|
| Molecular Weight | 495.10 g/mol |
| LogP | 5.5885 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.10196 |
| Heavy Atoms | 34 |
| Complexity | 1268.521 |
Chemical Identifiers
| CAS Number | 327094-35-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_001551 (CAS 327094-35-9), with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_001551
Property Insights of CBKinase1_001551
The XLogP value of 5.5885 indicates that CBKinase1_001551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001551. Following Lipinski's Rule of Five, CBKinase1_001551 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_001551?
The CAS number of CBKinase1_001551 is 327094-35-9.
What is the molecular formula of CBKinase1_001551?
The molecular formula of CBKinase1_001551 is C25H22ClN3O4S.
What is the molecular weight of CBKinase1_001551?
The molecular weight of CBKinase1_001551 is 495.10 g/mol.
Where can I buy CBKinase1_001551?
You can request a quote for CBKinase1_001551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001551?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.