F0916-5085
TL;DR: F0916-5085 (CAS 422282-75-5) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: F0916-5085, 3-(4-chlorobenzyl)-N-cyclopentyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide, 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.43319 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 1145.0098 |
Chemical Identifiers
| CAS Number | 422282-75-5 |
|---|---|
| SMILES | C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl |
Product Overview
F0916-5085 (CAS 422282-75-5), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-N-cyclopentyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of F0916-5085
Property Insights of F0916-5085
The XLogP value of 4.43319 indicates that F0916-5085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for F0916-5085. Following Lipinski's Rule of Five, F0916-5085 has 2 hydrogen bond donor(s) and 3 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 F0916-5085?
The CAS number of F0916-5085 is 422282-75-5.
What is the molecular formula of F0916-5085?
The molecular formula of F0916-5085 is C21H20ClN3O2S.
What is the molecular weight of F0916-5085?
The molecular weight of F0916-5085 is 413.10 g/mol.
Where can I buy F0916-5085?
You can request a quote for F0916-5085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0916-5085?
Yes, KEHONG BIO provides custom synthesis services for F0916-5085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.