ChemDiv1_013859
TL;DR: ChemDiv1_013859 (CAS 451467-59-7) is a chemical compound with molecular formula C29H34ClN5O4S and molecular weight 583.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013859, F0916-6478, 1-(2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide, 1-{2-[({[(2-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl}piperidine-4-carboxamide
| Molecular Formula | C29H34ClN5O4S |
|---|---|
| Molecular Weight | 583.20 g/mol |
| LogP | 3.9861 |
| Topological Polar Surface Area | 127.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 583.202 |
| Heavy Atoms | 40 |
| Complexity | 1452.1002 |
Chemical Identifiers
| CAS Number | 451467-59-7 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)NCC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_013859 (CAS 451467-59-7), with molecular formula C29H34ClN5O4S and molecular weight 583.20 g/mol. IUPAC: 1-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013859
Property Insights of ChemDiv1_013859
The XLogP value of 3.9861 indicates that ChemDiv1_013859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013859. Following Lipinski's Rule of Five, ChemDiv1_013859 has 2 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_013859?
The CAS number of ChemDiv1_013859 is 451467-59-7.
What is the molecular formula of ChemDiv1_013859?
The molecular formula of ChemDiv1_013859 is C29H34ClN5O4S.
What is the molecular weight of ChemDiv1_013859?
The molecular weight of ChemDiv1_013859 is 583.20 g/mol.
Where can I buy ChemDiv1_013859?
You can request a quote for ChemDiv1_013859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013859?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.