![(2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID structure](/static/products/8250/82508-31-4.webp)
(2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID (CAS 82508-31-4) is a chemical compound with molecular formula C23H28O8 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1R,7S,8R,9R)-4,7-bis(methoxycarbonyl)-9-methyl-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID
| Molecular Formula | C23H28O8 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.1784 |
| Heavy Atoms | 31 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 82508-31-4 |
|---|---|
| SMILES | CC(=CC=C[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)C(=O)OC)C(=O)O1)C)C(=O)O |
| InChIKey | XRLYZNSOXNPKOR-RAKGIWIYSA-N |
Product Overview
(2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID (CAS 82508-31-4), with molecular formula C23H28O8 and molecular weight 432.18 g/mol. IUPAC: 5-[(1R,7S,8R,9R)-4,7-bis(methoxycarbonyl)-9-methyl-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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 8 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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID is 82508-31-4.
What is the molecular formula of (2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID is C23H28O8.
What is the molecular weight of (2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-11-OXO-10-OXATRICYCLO[6.3.2.0(1),?]TRIDEC-3-EN-9-YL]-2-METHYLPENTA-2,4-DIENOIC ACID is 432.18 g/mol.
Where can I buy (2E,4E)-5-[(1R,7S,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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,8R,9R)-4,7-BIS(METHOXYCARBONYL)-9-METHYL-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.