2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid
TL;DR: 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid (CAS 497936-69-3) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 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-methylbutanoic acid
Also Known As: BAS 00757757, 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid, 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-methylbutanoic acid, 2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-methylbutanoic acid, 2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-3-methyl-butyric acid
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 497936-69-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O |
| InChIKey | MNKSUDDNUOWWMB-UHFFFAOYSA-N |
Product Overview
2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid (CAS 497936-69-3), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid
Property Insights of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic 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-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic 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-methylbutanoic acid?
The CAS number of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid is 497936-69-3.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid?
The molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid is C14H19NO4.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid?
The molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid is 265.13 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid?
You can request a quote for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic 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-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.