![(1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/131/131433-31-3.png)
(1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 131433-31-3) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,4S)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: (1r,2r,3s,4s)-3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, (1alpha,4alpha)-Bicyclo[2.2.1]hepta-5-ene-2alpha,3alpha-dicarboxylic acid 2-methyl ester, (1beta,4beta)-Bicyclo[2.2.1]hepta-5-ene-2beta,3beta-dicarboxylic acid 3-methyl ester, (1S,4R)-Bicyclo[2.2.1]hept-5-ene-2alpha,3alpha-dicarboxylic acid 2-methyl ester
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.6823 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 307.24387 |
Chemical Identifiers
| CAS Number | 131433-31-3 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@H]2C[C@@H]([C@H]1C(=O)O)C=C2 |
Product Overview
(1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 131433-31-3), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: (1R,2R,3S,4S)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 0.6823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic 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 (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 131433-31-3.
What is the molecular formula of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C10H12O4.
What is the molecular weight of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 196.07 g/mol.
Where can I buy (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-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,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,2r,3s,4s)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.