ChemDiv1_013686
TL;DR: ChemDiv1_013686 (CAS 422289-06-3) is a chemical compound with molecular formula C31H34N4O5S and molecular weight 574.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013686, F3407-3915, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{2-[({[(4-methylphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}propanamide, N-(3,4-dimethoxyphenethyl)-3-(2-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
| Molecular Formula | C31H34N4O5S |
|---|---|
| Molecular Weight | 574.23 g/mol |
| LogP | 3.87962 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 574.225 |
| Heavy Atoms | 41 |
| Complexity | 1569.5753 |
Chemical Identifiers
| CAS Number | 422289-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_013686 (CAS 422289-06-3), with molecular formula C31H34N4O5S and molecular weight 574.23 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013686
Property Insights of ChemDiv1_013686
The XLogP value of 3.87962 indicates that ChemDiv1_013686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013686. Following Lipinski's Rule of Five, ChemDiv1_013686 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013686?
The CAS number of ChemDiv1_013686 is 422289-06-3.
What is the molecular formula of ChemDiv1_013686?
The molecular formula of ChemDiv1_013686 is C31H34N4O5S.
What is the molecular weight of ChemDiv1_013686?
The molecular weight of ChemDiv1_013686 is 574.23 g/mol.
Where can I buy ChemDiv1_013686?
You can request a quote for ChemDiv1_013686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013686?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.