(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid
TL;DR: (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid (CAS 380428-86-4) is a chemical compound with molecular formula C11H11Br2NO4 and molecular weight 378.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetic acid
Also Known As: (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid, AE-848/32783060, 2-(5,6-Dibromo-1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetic acid, 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetic acid, 4,7-methano-2H-isoindole-2-acetic acid, 5,6-dibromooctahydro-1,3-dioxo-
| Molecular Formula | C11H11Br2NO4 |
|---|---|
| Molecular Weight | 378.91 g/mol |
| LogP | 0.8489 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.9055 |
| Heavy Atoms | 18 |
| Complexity | 422.32416 |
Chemical Identifiers
| CAS Number | 380428-86-4 |
|---|---|
| SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)O |
Product Overview
(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid (CAS 380428-86-4), with molecular formula C11H11Br2NO4 and molecular weight 378.91 g/mol. IUPAC: 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetic acid.
Chemical Property Profile of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid
Property Insights of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid
The XLogP value of 0.8489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid. Following Lipinski's Rule of Five, (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-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 (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid?
The CAS number of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid is 380428-86-4.
What is the molecular formula of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid?
The molecular formula of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid is C11H11Br2NO4.
What is the molecular weight of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid?
The molecular weight of (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid is 378.91 g/mol.
Where can I buy (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid?
You can request a quote for (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-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 (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.