ChemDiv1_013427
TL;DR: ChemDiv1_013427 (CAS 422286-95-1) is a chemical compound with molecular formula C31H38N4O5S and molecular weight 578.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: ChemDiv1_013427, 3-{2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3407-3902, 3-(2-((2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C31H38N4O5S |
|---|---|
| Molecular Weight | 578.26 g/mol |
| LogP | 4.2615 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 578.2563 |
| Heavy Atoms | 41 |
| Complexity | 1452.1841 |
Chemical Identifiers
| CAS Number | 422286-95-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CCCCC4)OC |
Product Overview
ChemDiv1_013427 (CAS 422286-95-1), with molecular formula C31H38N4O5S and molecular weight 578.26 g/mol. IUPAC: 3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of ChemDiv1_013427
Property Insights of ChemDiv1_013427
The XLogP value of 4.2615 indicates that ChemDiv1_013427 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_013427. Following Lipinski's Rule of Five, ChemDiv1_013427 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_013427?
The CAS number of ChemDiv1_013427 is 422286-95-1.
What is the molecular formula of ChemDiv1_013427?
The molecular formula of ChemDiv1_013427 is C31H38N4O5S.
What is the molecular weight of ChemDiv1_013427?
The molecular weight of ChemDiv1_013427 is 578.26 g/mol.
Where can I buy ChemDiv1_013427?
You can request a quote for ChemDiv1_013427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013427?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.