(1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate
TL;DR: (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate (CAS 67253-41-2) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]oxy]but-3-en-2-ol
Also Known As: EINECS 266-625-8, (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate, 2-[[(4S)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl]oxy]but-3-en-2-ol, 2-[(7,7-Dimethylbicyclo[2.2.1]heptan-2-yl)oxy]but-3-en-2-ol, 2-{[(1S)-7,7-DIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]OXY}BUT-3-EN-2-OL
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 2.7222 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 267.7095 |
Chemical Identifiers
| CAS Number | 67253-41-2 |
|---|---|
| SMILES | CC1([C@@H]2CCC1CC2OC(C)(C=C)O)C |
Product Overview
(1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate (CAS 67253-41-2), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 2-[[(1S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]oxy]but-3-en-2-ol.
Chemical Property Profile of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate
Property Insights of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate
The XLogP value of 2.7222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate. With a topological polar surface area (TPSA) of 29.46 Ų, (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate 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 (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate?
The CAS number of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate is 67253-41-2.
What is the molecular formula of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate?
The molecular formula of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate is C13H22O2.
What is the molecular weight of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate?
The molecular weight of (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate is 210.16 g/mol.
Where can I buy (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate?
You can request a quote for (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate?
Yes, KEHONG BIO provides custom synthesis services for (1S-endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.