RefChem:1068773
TL;DR: RefChem:1068773 (CAS 13337-64-9) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: IFLab1_004002, ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, BAS 01039413, 5-22-06-00426 (Beilstein Handbook Reference), J2.143.453A
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 13337-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C |
| InChIKey | BHUYANTVBSTZDM-UHFFFAOYSA-N |
Product Overview
RefChem:1068773 (CAS 13337-64-9), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of RefChem:1068773
Property Insights of RefChem:1068773
The XLogP value of 3.6 indicates that RefChem:1068773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, RefChem:1068773 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068773 has 1 hydrogen bond donor(s) and 4 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 RefChem:1068773?
The CAS number of RefChem:1068773 is 13337-64-9.
What is the molecular formula of RefChem:1068773?
The molecular formula of RefChem:1068773 is C21H25NO3.
What is the molecular weight of RefChem:1068773?
The molecular weight of RefChem:1068773 is 339.18 g/mol.
Where can I buy RefChem:1068773?
You can request a quote for RefChem:1068773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.