![2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid structure](/static/products/1382/138220-90-3.webp)
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid
TL;DR: 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid (CAS 138220-90-3) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid
Also Known As: BAS 09618957, (1,3-Dioxo-octahydro-isoindol-2-yl)-acetic acid, 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 0.2462 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 301.38406 |
Chemical Identifiers
| CAS Number | 138220-90-3 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)O |
Product Overview
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid (CAS 138220-90-3), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid.
Chemical Property Profile of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid
Property Insights of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid
The XLogP value of 0.2462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid. Following Lipinski's Rule of Five, 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic 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 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid?
The CAS number of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid is 138220-90-3.
What is the molecular formula of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid?
The molecular formula of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid is C10H13NO4.
What is the molecular weight of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid?
The molecular weight of 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid is 211.08 g/mol.
Where can I buy 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid?
You can request a quote for 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.