IFLab1_004665
TL;DR: IFLab1_004665 (CAS 433975-20-3) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Also Known As: IFLab1_004665, IDI1_010420, propyl 3-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate, propyl 3-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]benzoate, propyl 3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carbonylamino]benzo ate
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 3.3138 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 771.22 |
Chemical Identifiers
| CAS Number | 433975-20-3 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=CC=C1)NC(=O)C23CCC(C2(C)C)(C(=O)O3)C |
Product Overview
IFLab1_004665 (CAS 433975-20-3), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: propyl 3-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate.
Chemical Property Profile of IFLab1_004665
Property Insights of IFLab1_004665
The XLogP value of 3.3138 indicates that IFLab1_004665 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004665. Following Lipinski's Rule of Five, IFLab1_004665 has 1 hydrogen bond donor(s) and 5 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_004665?
The CAS number of IFLab1_004665 is 433975-20-3.
What is the molecular formula of IFLab1_004665?
The molecular formula of IFLab1_004665 is C20H25NO5.
What is the molecular weight of IFLab1_004665?
The molecular weight of IFLab1_004665 is 359.17 g/mol.
Where can I buy IFLab1_004665?
You can request a quote for IFLab1_004665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004665?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.