2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid
TL;DR: 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid (CAS 1008577-11-4) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanoic acid
Also Known As: 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid, 2-(1,3-Dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoic acid, 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanoic acid, 4,7-methano-2H-isoindole-2-acetic acid, octahydro-1,3-dioxo-alpha-(phenylmethyl)-, 2-(1,3-Dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoicacid
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 1008577-11-4 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O |
| InChIKey | FMMCKONUOQGALJ-UHFFFAOYSA-N |
Product Overview
2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid (CAS 1008577-11-4), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid
Property Insights of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid 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 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid?
The CAS number of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid is 1008577-11-4.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid?
The molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid is C18H19NO4.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid?
The molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid is 313.13 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid?
You can request a quote for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.