IFLab1_005015
TL;DR: IFLab1_005015 (CAS 539808-05-4) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Also Known As: IFLab1_005015, ethyl 4-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamido)benzoate, F1244-0135, ETHYL 4-{4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-AMIDO}BENZOATE, ethyl 4-((1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamido)benzoate
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 3.5873 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 736.568 |
Chemical Identifiers
| CAS Number | 539808-05-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C |
Product Overview
IFLab1_005015 (CAS 539808-05-4), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: ethyl 4-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate.
Chemical Property Profile of IFLab1_005015
Property Insights of IFLab1_005015
The XLogP value of 3.5873 indicates that IFLab1_005015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005015. Following Lipinski's Rule of Five, IFLab1_005015 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 IFLab1_005015?
The CAS number of IFLab1_005015 is 539808-05-4.
What is the molecular formula of IFLab1_005015?
The molecular formula of IFLab1_005015 is C20H25NO4.
What is the molecular weight of IFLab1_005015?
The molecular weight of IFLab1_005015 is 343.18 g/mol.
Where can I buy IFLab1_005015?
You can request a quote for IFLab1_005015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005015?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.