ChemDiv1_013899
TL;DR: ChemDiv1_013899 (CAS 403729-60-2) is a chemical compound with molecular formula C28H31ClN4O4S and molecular weight 554.18 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-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013899, 1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, F0912-3622, 1-(2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C28H31ClN4O4S |
|---|---|
| Molecular Weight | 554.18 g/mol |
| LogP | 4.5526 |
| Topological Polar Surface Area | 115.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 554.1755 |
| Heavy Atoms | 38 |
| Complexity | 1398.4692 |
Chemical Identifiers
| CAS Number | 403729-60-2 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_013899 (CAS 403729-60-2), with molecular formula C28H31ClN4O4S and molecular weight 554.18 g/mol. IUPAC: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013899
Property Insights of ChemDiv1_013899
The XLogP value of 4.5526 indicates that ChemDiv1_013899 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_013899. Following Lipinski's Rule of Five, ChemDiv1_013899 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_013899?
The CAS number of ChemDiv1_013899 is 403729-60-2.
What is the molecular formula of ChemDiv1_013899?
The molecular formula of ChemDiv1_013899 is C28H31ClN4O4S.
What is the molecular weight of ChemDiv1_013899?
The molecular weight of ChemDiv1_013899 is 554.18 g/mol.
Where can I buy ChemDiv1_013899?
You can request a quote for ChemDiv1_013899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013899?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.