IFLab1_000978
TL;DR: IFLab1_000978 (CAS 292852-50-7) is a chemical compound with molecular formula C24H31NO5 and molecular weight 413.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,5-dimethoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: IFLab1_000978, BAS 00380793, ethyl 4-(2,5-dimethoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, F0265-0081, ethyl 4-(2,5-dimethoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H31NO5 |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 4.261 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2202 |
| Heavy Atoms | 30 |
| Complexity | 925.52405 |
Chemical Identifiers
| CAS Number | 292852-50-7 |
|---|---|
| SMILES | CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)OC)OC)C(=O)OCC |
Product Overview
IFLab1_000978 (CAS 292852-50-7), with molecular formula C24H31NO5 and molecular weight 413.22 g/mol. IUPAC: ethyl 4-(2,5-dimethoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of IFLab1_000978
Property Insights of IFLab1_000978
The XLogP value of 4.261 indicates that IFLab1_000978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000978. Following Lipinski's Rule of Five, IFLab1_000978 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 IFLab1_000978?
The CAS number of IFLab1_000978 is 292852-50-7.
What is the molecular formula of IFLab1_000978?
The molecular formula of IFLab1_000978 is C24H31NO5.
What is the molecular weight of IFLab1_000978?
The molecular weight of IFLab1_000978 is 413.22 g/mol.
Where can I buy IFLab1_000978?
You can request a quote for IFLab1_000978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000978?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.