IFLab1_003607
TL;DR: IFLab1_003607 (CAS 467444-71-9) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl] propanoate
Also Known As: IFLab1_003607, IDI1_009714, 3-{3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl}phenyl propanoate, F0827-0121, 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl propionate
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.3135 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 708.29205 |
Chemical Identifiers
| CAS Number | 467444-71-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
IFLab1_003607 (CAS 467444-71-9), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: [3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl] propanoate.
Chemical Property Profile of IFLab1_003607
Property Insights of IFLab1_003607
The XLogP value of 2.3135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003607. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003607. Following Lipinski's Rule of Five, IFLab1_003607 has 0 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_003607?
The CAS number of IFLab1_003607 is 467444-71-9.
What is the molecular formula of IFLab1_003607?
The molecular formula of IFLab1_003607 is C18H17NO4.
What is the molecular weight of IFLab1_003607?
The molecular weight of IFLab1_003607 is 311.12 g/mol.
Where can I buy IFLab1_003607?
You can request a quote for IFLab1_003607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003607?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.