![(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid structure](/static/products/5007/500736-17-4.webp)
(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
TL;DR: (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid (CAS 500736-17-4) is a chemical compound with molecular formula C20H24O7 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,7S,8R,9R)-9-(4-carboxypenta-1,3-dienyl)-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid
Also Known As: (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid, 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid,3-[(1E,3E)-4-carboxy-1,3-pentadienyl]-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-, (3R,4R,4aS,9aR)-
| Molecular Formula | C20H24O7 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1522 |
| Heavy Atoms | 27 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 500736-17-4 |
|---|---|
| SMILES | CC(=CC=C[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)O)O)C(=O)O1)C)C(=O)O |
| InChIKey | QPFFEVMIQIJTGZ-PSAKCFHXSA-N |
Product Overview
(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid (CAS 500736-17-4), with molecular formula C20H24O7 and molecular weight 376.15 g/mol. IUPAC: (1R,7S,8R,9R)-9-(4-carboxypenta-1,3-dienyl)-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid.
Chemical Property Profile of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
Property Insights of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid. Following Lipinski's Rule of Five, (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid has 3 hydrogen bond donor(s) and 7 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 (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The CAS number of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is 500736-17-4.
What is the molecular formula of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The molecular formula of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is C20H24O7.
What is the molecular weight of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The molecular weight of (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is 376.15 g/mol.
Where can I buy (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
You can request a quote for (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.