CBKinase1_007870
TL;DR: CBKinase1_007870 (CAS 727689-35-2) is a chemical compound with molecular formula C21H17F2N5OS and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: CBKinase1_007870, CBKinase1_020270, BRD-K93284260-001-01-6, 1-(1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone, 1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one
| Molecular Formula | C21H17F2N5OS |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 4.32304 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.11218 |
| Heavy Atoms | 30 |
| Complexity | 1219.6222 |
Chemical Identifiers
| CAS Number | 727689-35-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)F)F)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
CBKinase1_007870 (CAS 727689-35-2), with molecular formula C21H17F2N5OS and molecular weight 425.11 g/mol. IUPAC: 1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of CBKinase1_007870
Property Insights of CBKinase1_007870
The XLogP value of 4.32304 indicates that CBKinase1_007870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007870. Following Lipinski's Rule of Five, CBKinase1_007870 has 0 hydrogen bond donor(s) and 5 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_007870?
The CAS number of CBKinase1_007870 is 727689-35-2.
What is the molecular formula of CBKinase1_007870?
The molecular formula of CBKinase1_007870 is C21H17F2N5OS.
What is the molecular weight of CBKinase1_007870?
The molecular weight of CBKinase1_007870 is 425.11 g/mol.
Where can I buy CBKinase1_007870?
You can request a quote for CBKinase1_007870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007870?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.