(1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid
TL;DR: (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid (CAS 66879-75-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]prop-2-enoic acid
Also Known As: EINECS 266-508-1, (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid, exo-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid, (2E)-3-[(1R,2R,4S)-3,3-DIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PROP-2-ENOIC ACID, (E)-3-[(1R,4S)-3,3-Dimethylbicyclo[2.2.1]hept-2alpha-yl]propenoic acid
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6995 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 278.04633 |
Chemical Identifiers
| CAS Number | 66879-75-2 |
|---|---|
| SMILES | CC1([C@H]2CC[C@H](C2)[C@@H]1/C=C/C(=O)O)C |
Product Overview
(1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid (CAS 66879-75-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (E)-3-[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]prop-2-enoic acid.
Chemical Property Profile of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid
Property Insights of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid
The XLogP value of 2.6995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid has 1 hydrogen bond donor(s) and 1 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 (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid?
The CAS number of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid is 66879-75-2.
What is the molecular formula of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid?
The molecular formula of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid is C12H18O2.
What is the molecular weight of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid?
The molecular weight of (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid is 194.13 g/mol.
Where can I buy (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid?
You can request a quote for (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1alpha,2alpha,(E),4alpha)-3-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.