![(2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid structure](/static/products/8250/82508-32-5.webp)
(2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
TL;DR: (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid (CAS 82508-32-5) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
Also Known As: (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid, 5-[(1R,7S,8S,9R)-7-Acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 82508-32-5 |
|---|---|
| SMILES | CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)C=CC=C(C)C(=O)O |
| InChIKey | GOHMRMDXUXWCDQ-UPZYVNNASA-N |
Product Overview
(2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid (CAS 82508-32-5), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: 5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid.
Chemical Property Profile of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
Property Insights of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid. Following Lipinski's Rule of Five, (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid has 1 hydrogen bond donor(s) and 6 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 (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid?
The CAS number of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid is 82508-32-5.
What is the molecular formula of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid?
The molecular formula of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid is C22H28O6.
What is the molecular weight of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid?
The molecular weight of (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid is 388.19 g/mol.
Where can I buy (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid?
You can request a quote for (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.