ChemDiv1_013424
TL;DR: ChemDiv1_013424 (CAS 422289-14-3) is a chemical compound with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide
Also Known As: ChemDiv1_013424, 4-[2-({[(2,4-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-N-[(oxolan-2-yl)methyl]butanamide, F3407-3917, 4-(2-((2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)butanamide, 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide
| Molecular Formula | C27H32N4O6S |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 3.2199 |
| Topological Polar Surface Area | 120.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 540.2043 |
| Heavy Atoms | 38 |
| Complexity | 1338.8827 |
Chemical Identifiers
| CAS Number | 422289-14-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4CCCO4)OC |
Product Overview
ChemDiv1_013424 (CAS 422289-14-3), with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol. IUPAC: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide.
Chemical Property Profile of ChemDiv1_013424
Property Insights of ChemDiv1_013424
The XLogP value of 3.2199 indicates that ChemDiv1_013424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013424. Following Lipinski's Rule of Five, ChemDiv1_013424 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013424?
The CAS number of ChemDiv1_013424 is 422289-14-3.
What is the molecular formula of ChemDiv1_013424?
The molecular formula of ChemDiv1_013424 is C27H32N4O6S.
What is the molecular weight of ChemDiv1_013424?
The molecular weight of ChemDiv1_013424 is 540.20 g/mol.
Where can I buy ChemDiv1_013424?
You can request a quote for ChemDiv1_013424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013424?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.