ChemDiv1_013771
TL;DR: ChemDiv1_013771 (CAS 450372-08-4) is a chemical compound with molecular formula C29H24ClFN4O4S and molecular weight 578.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013771, F0913-4141, 1-(2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C29H24ClFN4O4S |
|---|---|
| Molecular Weight | 578.12 g/mol |
| LogP | 4.4907 |
| Topological Polar Surface Area | 115.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.1191 |
| Heavy Atoms | 40 |
| Complexity | 1667.0142 |
Chemical Identifiers
| CAS Number | 450372-08-4 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_013771 (CAS 450372-08-4), with molecular formula C29H24ClFN4O4S and molecular weight 578.12 g/mol. IUPAC: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013771
Property Insights of ChemDiv1_013771
The XLogP value of 4.4907 indicates that ChemDiv1_013771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013771. Following Lipinski's Rule of Five, ChemDiv1_013771 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013771?
The CAS number of ChemDiv1_013771 is 450372-08-4.
What is the molecular formula of ChemDiv1_013771?
The molecular formula of ChemDiv1_013771 is C29H24ClFN4O4S.
What is the molecular weight of ChemDiv1_013771?
The molecular weight of ChemDiv1_013771 is 578.12 g/mol.
Where can I buy ChemDiv1_013771?
You can request a quote for ChemDiv1_013771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.