ChemDiv1_013937
TL;DR: ChemDiv1_013937 (CAS 450371-93-4) is a chemical compound with molecular formula C29H27FN4O3S and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013937, F0913-4126, 1-(3-(4-fluorophenyl)-2-((4-methylbenzyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C29H27FN4O3S |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 4.46302 |
| Topological Polar Surface Area | 98.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1788 |
| Heavy Atoms | 38 |
| Complexity | 1560.3062 |
Chemical Identifiers
| CAS Number | 450371-93-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_013937 (CAS 450371-93-4), with molecular formula C29H27FN4O3S and molecular weight 530.18 g/mol. IUPAC: 1-[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013937
Property Insights of ChemDiv1_013937
The XLogP value of 4.46302 indicates that ChemDiv1_013937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013937. Following Lipinski's Rule of Five, ChemDiv1_013937 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013937?
The CAS number of ChemDiv1_013937 is 450371-93-4.
What is the molecular formula of ChemDiv1_013937?
The molecular formula of ChemDiv1_013937 is C29H27FN4O3S.
What is the molecular weight of ChemDiv1_013937?
The molecular weight of ChemDiv1_013937 is 530.18 g/mol.
Where can I buy ChemDiv1_013937?
You can request a quote for ChemDiv1_013937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013937?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.