ChemDiv1_013642
TL;DR: ChemDiv1_013642 (CAS 422289-03-0) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.17 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-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013642, F3407-3912, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)propanamide, N-(3,4-dimethoxyphenethyl)-3-(2-((4-nitrobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide
| Molecular Formula | C28H28N4O6S |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | 4.3632 |
| Topological Polar Surface Area | 125.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.173 |
| Heavy Atoms | 39 |
| Complexity | 1537.862 |
Chemical Identifiers
| CAS Number | 422289-03-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
ChemDiv1_013642 (CAS 422289-03-0), with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013642
Property Insights of ChemDiv1_013642
The XLogP value of 4.3632 indicates that ChemDiv1_013642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013642. Following Lipinski's Rule of Five, ChemDiv1_013642 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_013642?
The CAS number of ChemDiv1_013642 is 422289-03-0.
What is the molecular formula of ChemDiv1_013642?
The molecular formula of ChemDiv1_013642 is C28H28N4O6S.
What is the molecular weight of ChemDiv1_013642?
The molecular weight of ChemDiv1_013642 is 548.17 g/mol.
Where can I buy ChemDiv1_013642?
You can request a quote for ChemDiv1_013642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013642?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.