ChemDiv1_013342
TL;DR: ChemDiv1_013342 (CAS 443349-45-9) is a chemical compound with molecular formula C27H27ClN4O4S and molecular weight 538.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
Also Known As: ChemDiv1_013342, 2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide, F0916-4304, 2-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-N-(furan-2-ylmethyl)-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide, 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
| Molecular Formula | C27H27ClN4O4S |
|---|---|
| Molecular Weight | 538.14 g/mol |
| LogP | 5.4939 |
| Topological Polar Surface Area | 106.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 538.14417 |
| Heavy Atoms | 37 |
| Complexity | 1452.8209 |
Chemical Identifiers
| CAS Number | 443349-45-9 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)NC4=CC=CC=C4Cl |
Product Overview
ChemDiv1_013342 (CAS 443349-45-9), with molecular formula C27H27ClN4O4S and molecular weight 538.14 g/mol. IUPAC: 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013342
Property Insights of ChemDiv1_013342
The XLogP value of 5.4939 indicates that ChemDiv1_013342 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_013342. Following Lipinski's Rule of Five, ChemDiv1_013342 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_013342?
The CAS number of ChemDiv1_013342 is 443349-45-9.
What is the molecular formula of ChemDiv1_013342?
The molecular formula of ChemDiv1_013342 is C27H27ClN4O4S.
What is the molecular weight of ChemDiv1_013342?
The molecular weight of ChemDiv1_013342 is 538.14 g/mol.
Where can I buy ChemDiv1_013342?
You can request a quote for ChemDiv1_013342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013342?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.