IFLab1_004029
TL;DR: IFLab1_004029 (CAS 314261-61-5) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: IFLab1_004029, BAS 03078384, AF-399/15030068, F0863-0329, ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.6249 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 940.5866 |
Chemical Identifiers
| CAS Number | 314261-61-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCCO4)C(=O)CC(C2)(C)C)C |
Product Overview
IFLab1_004029 (CAS 314261-61-5), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of IFLab1_004029
Property Insights of IFLab1_004029
The XLogP value of 3.6249 indicates that IFLab1_004029 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_004029. Following Lipinski's Rule of Five, IFLab1_004029 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_004029?
The CAS number of IFLab1_004029 is 314261-61-5.
What is the molecular formula of IFLab1_004029?
The molecular formula of IFLab1_004029 is C23H27NO5.
What is the molecular weight of IFLab1_004029?
The molecular weight of IFLab1_004029 is 397.19 g/mol.
Where can I buy IFLab1_004029?
You can request a quote for IFLab1_004029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004029?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.