Menthadienyl formate
TL;DR: Menthadienyl formate (CAS 68683-20-5) 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.
2-(4-propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl formate
Also Known As: Isobergamate, Menthadienyl formate, Menthadienyl formiate, Menthadiene-7-methyl formate, 4-(Isopropyl)cyclohexadiene-1-ethyl formate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 68683-20-5 |
|---|---|
| SMILES | CC(C)C1=CCC(=CC1)CCOC=O |
| InChIKey | VQKSHQQZPYHYOS-UHFFFAOYSA-N |
Product Overview
Menthadienyl formate (CAS 68683-20-5), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-(4-propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl formate.
Chemical Property Profile of Menthadienyl formate
Property Insights of Menthadienyl formate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Menthadienyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, Menthadienyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Menthadienyl formate 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 Menthadienyl formate?
The CAS number of Menthadienyl formate is 68683-20-5.
What is the molecular formula of Menthadienyl formate?
The molecular formula of Menthadienyl formate is C12H18O2.
What is the molecular weight of Menthadienyl formate?
The molecular weight of Menthadienyl formate is 194.13 g/mol.
Where can I buy Menthadienyl formate?
You can request a quote for Menthadienyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Menthadienyl formate?
Yes, KEHONG BIO provides custom synthesis services for Menthadienyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.