Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-
TL;DR: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)- (CAS 98874-94-3) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylic acid
Also Known As: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-, 6-Methyl-4-(pentan-3-ylidene)bicyclo[3.1.0]hex-2-ene-6-carboxylic acid, (1R,5R)-6-methyl-2-pentan-3-ylidene-bicyclo[3.1.0]hex-3-ene-6-carboxylic Acid, (1S,5S)-6-Methyl-4-(pentan-3-ylidene)bicyclo[3.1.0]hex-2-ene-6-carboxylic acid, (1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 98874-94-3 |
|---|---|
| SMILES | CCC(=C1C=C[C@H]2[C@@H]1C2(C)C(=O)O)CC |
| InChIKey | OPMKJZWORIVNHX-VUDPYIQVSA-N |
Product Overview
Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)- (CAS 98874-94-3), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (1S,5S)-6-methyl-4-pentan-3-ylidenebicyclo[3.1.0]hex-2-ene-6-carboxylic acid.
Chemical Property Profile of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-
Property Insights of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-. With a topological polar surface area (TPSA) of 37.3 Ų, Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (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-, (1alpha,5alpha,6alpha)- has 1 hydrogen bond donor(s) and 2 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, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-?
The CAS number of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)- is 98874-94-3.
What is the molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-?
The molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)- is C13H18O2.
What is the molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-?
The molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)- is 206.13 g/mol.
Where can I buy Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (1alpha,5alpha,6alpha)-?
You can request a quote for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-(1-ethylpropylidene)-6-methyl-, (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-, (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-, (1alpha,5alpha,6alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.