RefChem:330466
TL;DR: RefChem:330466 (CAS 65872-81-3) is a chemical compound with molecular formula C20H22FN3O3 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide;hydrate
Also Known As: 6-Butyrylamino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone hydrate, Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate, N-[2-(FLUOROMETHYL)-3-(2-METHYLPHENYL)-4-OXOQUINAZOLIN-6-YL]BUTANAMIDEHYDRATE, N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide hydrate, N-[2-(Fluoromethyl)-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-6-yl]butanamide--water (1/1)
| Molecular Formula | C20H22FN3O3 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.16452 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 65872-81-3 |
|---|---|
| SMILES | CCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF.O |
| InChIKey | YFKYVTSQMSDASF-UHFFFAOYSA-N |
Product Overview
RefChem:330466 (CAS 65872-81-3), with molecular formula C20H22FN3O3 and molecular weight 371.16 g/mol. IUPAC: N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide;hydrate.
Chemical Property Profile of RefChem:330466
Property Insights of RefChem:330466
The XLogP value of 3.08 indicates that RefChem:330466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330466. Following Lipinski's Rule of Five, RefChem:330466 has 2 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 RefChem:330466?
The CAS number of RefChem:330466 is 65872-81-3.
What is the molecular formula of RefChem:330466?
The molecular formula of RefChem:330466 is C20H22FN3O3.
What is the molecular weight of RefChem:330466?
The molecular weight of RefChem:330466 is 371.16 g/mol.
Where can I buy RefChem:330466?
You can request a quote for RefChem:330466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.