cis-Verbenyl acetate
TL;DR: cis-Verbenyl acetate (CAS 29135-27-1) 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.
[(1S,2R,5S)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate
Also Known As: cis-Verbenyl acetate, trans-Verbenyl acetate, ((1S,2R,5S)-4,6,6-trimethyl-2-bicyclo(3.1.1)hept-3-enyl) acetate, (1alpha,5alpha)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2alpha-ol acetate, (1beta,4beta,5beta)-4-Acetoxy-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.5403 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 301.4436 |
Chemical Identifiers
| CAS Number | 29135-27-1 |
|---|---|
| SMILES | CC1=C[C@H]([C@H]2C[C@@H]1C2(C)C)OC(=O)C |
Product Overview
cis-Verbenyl acetate (CAS 29135-27-1), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: [(1S,2R,5S)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate.
Chemical Property Profile of cis-Verbenyl acetate
Property Insights of cis-Verbenyl acetate
The XLogP value of 2.5403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Verbenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, cis-Verbenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Verbenyl acetate has 0 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 cis-Verbenyl acetate?
The CAS number of cis-Verbenyl acetate is 29135-27-1.
What is the molecular formula of cis-Verbenyl acetate?
The molecular formula of cis-Verbenyl acetate is C12H18O2.
What is the molecular weight of cis-Verbenyl acetate?
The molecular weight of cis-Verbenyl acetate is 194.13 g/mol.
Where can I buy cis-Verbenyl acetate?
You can request a quote for cis-Verbenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Verbenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for cis-Verbenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.