![4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid structure](/static/products/890/890979-89-2.png)
4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid
TL;DR: 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid (CAS 890979-89-2) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]benzoic acid
Also Known As: 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid, 4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]benzoic Acid, 4-((1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)methyl)benzoic acid
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.06 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 568.7995 |
Chemical Identifiers
| CAS Number | 890979-89-2 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid (CAS 890979-89-2), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid
Property Insights of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 3 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 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid?
The CAS number of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid is 890979-89-2.
What is the molecular formula of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid?
The molecular formula of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid is C16H17NO4.
What is the molecular weight of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid?
The molecular weight of 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid is 287.12 g/mol.
Where can I buy 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid?
You can request a quote for 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.