rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid
TL;DR: rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid (CAS 1243556-64-0) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanoic acid
Also Known As: rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.4385 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 454.2652 |
Chemical Identifiers
| CAS Number | 1243556-64-0 |
|---|---|
| SMILES | C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCCC(=O)O |
Product Overview
rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid (CAS 1243556-64-0), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 6-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanoic acid.
Chemical Property Profile of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid
Property Insights of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid
The XLogP value of 1.4385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid. Following Lipinski's Rule of Five, rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic 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 rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid?
The CAS number of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid is 1243556-64-0.
What is the molecular formula of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid?
The molecular formula of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid is C15H19NO4.
What is the molecular weight of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid?
The molecular weight of rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid is 277.13 g/mol.
Where can I buy rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid?
You can request a quote for rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for rel-6-((3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.