CBKinase1_007939
TL;DR: CBKinase1_007939 (CAS 690646-78-7) is a chemical compound with molecular formula C16H14Cl2N4OS and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: CBKinase1_007939, CBKinase1_020339, BRD-K95531430-001-01-3, 2-((1H-1,2,4-triazol-3-yl)thio)-1-(1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
| Molecular Formula | C16H14Cl2N4OS |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 4.49404 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.02655 |
| Heavy Atoms | 24 |
| Complexity | 889.872 |
Chemical Identifiers
| CAS Number | 690646-78-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C(=O)CSC3=NC=NN3 |
Product Overview
CBKinase1_007939 (CAS 690646-78-7), with molecular formula C16H14Cl2N4OS and molecular weight 380.03 g/mol. IUPAC: 1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_007939
Property Insights of CBKinase1_007939
The XLogP value of 4.49404 indicates that CBKinase1_007939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007939. Following Lipinski's Rule of Five, CBKinase1_007939 has 1 hydrogen bond donor(s) and 4 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_007939?
The CAS number of CBKinase1_007939 is 690646-78-7.
What is the molecular formula of CBKinase1_007939?
The molecular formula of CBKinase1_007939 is C16H14Cl2N4OS.
What is the molecular weight of CBKinase1_007939?
The molecular weight of CBKinase1_007939 is 380.03 g/mol.
Where can I buy CBKinase1_007939?
You can request a quote for CBKinase1_007939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007939?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.