Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-
TL;DR: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- (CAS 98973-76-3) is a chemical compound with molecular formula C21H20O3 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (1R,5R,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate
Also Known As: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-, (3-phenoxyphenyl)methyl 3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate, (3-Phenoxyphenyl)methyl (1R,5R,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate, (3-phenoxyphenyl)methyl (1R,5R,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carboxylate, (3-phenoxyphenyl)methyl (1R,5S,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carboxylate
| Molecular Formula | C21H20O3 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.14124 |
| Heavy Atoms | 24 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 98973-76-3 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H](C1)[C@H]2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | BOLWAQBRKQMXEB-ZCNNSNEGSA-N |
Product Overview
Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- (CAS 98973-76-3), with molecular formula C21H20O3 and molecular weight 320.14 g/mol. IUPAC: (3-phenoxyphenyl)methyl (1R,5R,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate.
Chemical Property Profile of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-
Property Insights of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-
The XLogP value of 4.0 indicates that Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- has 0 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 Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-?
The CAS number of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- is 98973-76-3.
What is the molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-?
The molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- is C21H20O3.
What is the molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-?
The molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- is 320.14 g/mol.
Where can I buy Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-?
You can request a quote for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.