ChemDiv1_013759
TL;DR: ChemDiv1_013759 (CAS 403729-45-3) is a chemical compound with molecular formula C28H32N4O4S and molecular weight 520.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carbonyl)piperidine-4-carboxamide
Also Known As: ChemDiv1_013759, F0912-3607, 1-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-7-carbonyl}piperidine-4-carboxamide, 1-(4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-(4-oxo-2-((2-oxo-2-phenylethyl)thio)-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
| Molecular Formula | C28H32N4O4S |
|---|---|
| Molecular Weight | 520.21 g/mol |
| LogP | 3.8992 |
| Topological Polar Surface Area | 115.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.2144 |
| Heavy Atoms | 37 |
| Complexity | 1347.5396 |
Chemical Identifiers
| CAS Number | 403729-45-3 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_013759 (CAS 403729-45-3), with molecular formula C28H32N4O4S and molecular weight 520.21 g/mol. IUPAC: 1-(4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carbonyl)piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013759
Property Insights of ChemDiv1_013759
The XLogP value of 3.8992 indicates that ChemDiv1_013759 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_013759. Following Lipinski's Rule of Five, ChemDiv1_013759 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_013759?
The CAS number of ChemDiv1_013759 is 403729-45-3.
What is the molecular formula of ChemDiv1_013759?
The molecular formula of ChemDiv1_013759 is C28H32N4O4S.
What is the molecular weight of ChemDiv1_013759?
The molecular weight of ChemDiv1_013759 is 520.21 g/mol.
Where can I buy ChemDiv1_013759?
You can request a quote for ChemDiv1_013759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013759?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.