Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-
TL;DR: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- (CAS 98875-12-8) is a chemical compound with molecular formula C26H28O3 and molecular weight 388.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylate
Also Known As: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-, (3-phenoxyphenyl)methyl (1R,5R)-6-methyl-2-pentan-3-ylidene-bicyclo[3.1.0]hex-3-ene-6-carboxylate, (3-Phenoxyphenyl)methyl (1S,5S)-6-methyl-4-(pentan-3-ylidene)bicyclo[3.1.0]hex-2-ene-6-carboxylate, (3-phenoxyphenyl)methyl (1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylate, (3-Phenoxyphenyl)methyl 6-methyl-4-(pentan-3-ylidene)bicyclo[3.1.0]hex-2-ene-6-carboxylate
| Molecular Formula | C26H28O3 |
|---|---|
| Molecular Weight | 388.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.20386 |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 98875-12-8 |
|---|---|
| SMILES | CCC(=C1C=C[C@H]2[C@@H]1C2(C)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)CC |
| InChIKey | SQBRQKSJZUAFMU-GPTJOGTASA-N |
Product Overview
Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- (CAS 98875-12-8), with molecular formula C26H28O3 and molecular weight 388.20 g/mol. IUPAC: (3-phenoxyphenyl)methyl (1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylate.
Chemical Property Profile of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-
Property Insights of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-
The XLogP value of 6.1 indicates that Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- 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, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- 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, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-?
The CAS number of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- is 98875-12-8.
What is the molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-?
The molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- is C26H28O3.
What is the molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-?
The molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- is 388.20 g/mol.
Where can I buy Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-?
You can request a quote for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- 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, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.