ChemDiv1_013811
TL;DR: ChemDiv1_013811 (CAS 451467-56-4) is a chemical compound with molecular formula C28H29ClN4O4S and molecular weight 552.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
Also Known As: ChemDiv1_013811, F0916-6472, 2-[({[(2-chlorophenyl)methyl]carbamoyl}methyl)sulfanyl]-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide, 2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-N-(furan-2-ylmethyl)-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide, 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
| Molecular Formula | C28H29ClN4O4S |
|---|---|
| Molecular Weight | 552.16 g/mol |
| LogP | 5.1716 |
| Topological Polar Surface Area | 106.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 552.1598 |
| Heavy Atoms | 38 |
| Complexity | 1469.7427 |
Chemical Identifiers
| CAS Number | 451467-56-4 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)NCC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_013811 (CAS 451467-56-4), with molecular formula C28H29ClN4O4S and molecular weight 552.16 g/mol. IUPAC: 2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013811
Property Insights of ChemDiv1_013811
The XLogP value of 5.1716 indicates that ChemDiv1_013811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013811. Following Lipinski's Rule of Five, ChemDiv1_013811 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_013811?
The CAS number of ChemDiv1_013811 is 451467-56-4.
What is the molecular formula of ChemDiv1_013811?
The molecular formula of ChemDiv1_013811 is C28H29ClN4O4S.
What is the molecular weight of ChemDiv1_013811?
The molecular weight of ChemDiv1_013811 is 552.16 g/mol.
Where can I buy ChemDiv1_013811?
You can request a quote for ChemDiv1_013811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013811?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.