6-Fluor-4-benzylmercapto-cinnolin
TL;DR: 6-Fluor-4-benzylmercapto-cinnolin (CAS 37531-47-8) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(aziridine-1-carbonylamino)-3-methylphenyl]-2-methylphenyl]aziridine-1-carboxamide
Also Known As: 6-Fluor-4-benzylmercapto-cinnolin, n,n'-(3,3'-dimethylbiphenyl-4,4'-diyl)diaziridine-1-carboxamide, N-[4-[4-(aziridine-1-carbonylamino)-3-methyl-phenyl]-2-methy, N-[4-[4-(aziridine-1-carbonylamino)-3-methylphenyl]-2-methylphenyl]aziridine-1-carboxamide, N-[4-[4- -3-methyl-phenyl]-2-methyl-phenyl]aziridine-1-carboxamide
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 37531-47-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)N3CC3)C)NC(=O)N4CC4 |
| InChIKey | FMDPSTITBZDRNU-UHFFFAOYSA-N |
Product Overview
6-Fluor-4-benzylmercapto-cinnolin (CAS 37531-47-8), with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol. IUPAC: N-[4-[4-(aziridine-1-carbonylamino)-3-methylphenyl]-2-methylphenyl]aziridine-1-carboxamide.
Chemical Property Profile of 6-Fluor-4-benzylmercapto-cinnolin
Property Insights of 6-Fluor-4-benzylmercapto-cinnolin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluor-4-benzylmercapto-cinnolin. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Fluor-4-benzylmercapto-cinnolin. Following Lipinski's Rule of Five, 6-Fluor-4-benzylmercapto-cinnolin has 2 hydrogen bond donor(s) and 2 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 6-Fluor-4-benzylmercapto-cinnolin?
The CAS number of 6-Fluor-4-benzylmercapto-cinnolin is 37531-47-8.
What is the molecular formula of 6-Fluor-4-benzylmercapto-cinnolin?
The molecular formula of 6-Fluor-4-benzylmercapto-cinnolin is C20H22N4O2.
What is the molecular weight of 6-Fluor-4-benzylmercapto-cinnolin?
The molecular weight of 6-Fluor-4-benzylmercapto-cinnolin is 350.17 g/mol.
Where can I buy 6-Fluor-4-benzylmercapto-cinnolin?
You can request a quote for 6-Fluor-4-benzylmercapto-cinnolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluor-4-benzylmercapto-cinnolin?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluor-4-benzylmercapto-cinnolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.