ChemDiv1_002730
TL;DR: ChemDiv1_002730 (CAS 5707-94-8) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-cyano-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl)-2-ethoxyphenyl] acetate
Also Known As: ChemDiv1_002730, BAS 01251454, AB00094269-01, 4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenyl acetate, 4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-4-quinolinyl)-2-ethoxyphenyl acetate
| Molecular Formula | C27H26N2O4 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 4.89578 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.18927 |
| Heavy Atoms | 33 |
| Complexity | 1204.3723 |
Chemical Identifiers
| CAS Number | 5707-94-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CC(C3)C4=CC=CC=C4)C)C#N)OC(=O)C |
Product Overview
ChemDiv1_002730 (CAS 5707-94-8), with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol. IUPAC: [4-(3-cyano-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl)-2-ethoxyphenyl] acetate.
Chemical Property Profile of ChemDiv1_002730
Property Insights of ChemDiv1_002730
The XLogP value of 4.89578 indicates that ChemDiv1_002730 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002730. Following Lipinski's Rule of Five, ChemDiv1_002730 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002730?
The CAS number of ChemDiv1_002730 is 5707-94-8.
What is the molecular formula of ChemDiv1_002730?
The molecular formula of ChemDiv1_002730 is C27H26N2O4.
What is the molecular weight of ChemDiv1_002730?
The molecular weight of ChemDiv1_002730 is 442.19 g/mol.
Where can I buy ChemDiv1_002730?
You can request a quote for ChemDiv1_002730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002730?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.