ChemDiv1_013378
TL;DR: ChemDiv1_013378 (CAS 422288-84-4) is a chemical compound with molecular formula C31H33N3O6S and molecular weight 575.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: ChemDiv1_013378, 3-(2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3407-3903, 3-(2-((5-acetyl-2-methoxybenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C31H33N3O6S |
|---|---|
| Molecular Weight | 575.21 g/mol |
| LogP | 4.6662 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 575.209 |
| Heavy Atoms | 41 |
| Complexity | 1617.7714 |
Chemical Identifiers
| CAS Number | 422288-84-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_013378 (CAS 422288-84-4), with molecular formula C31H33N3O6S and molecular weight 575.21 g/mol. IUPAC: 3-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of ChemDiv1_013378
Property Insights of ChemDiv1_013378
The XLogP value of 4.6662 indicates that ChemDiv1_013378 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013378. Following Lipinski's Rule of Five, ChemDiv1_013378 has 1 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_013378?
The CAS number of ChemDiv1_013378 is 422288-84-4.
What is the molecular formula of ChemDiv1_013378?
The molecular formula of ChemDiv1_013378 is C31H33N3O6S.
What is the molecular weight of ChemDiv1_013378?
The molecular weight of ChemDiv1_013378 is 575.21 g/mol.
Where can I buy ChemDiv1_013378?
You can request a quote for ChemDiv1_013378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013378?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.