methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate
TL;DR: methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate (CAS 62338-58-3) 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.
methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate
Also Known As: methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate, methyl 5-(but-2-en-1-yl)cyclohex-2-ene-1-carboxylate, 5-(2-Butenyl)-2-cyclohexene-1-carboxylic acid methyl ester
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 62338-58-3 |
|---|---|
| SMILES | CC=CCC1CC=CC(C1)C(=O)OC |
| InChIKey | DTMBZAUZMXHTOK-UHFFFAOYSA-N |
Product Overview
methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate (CAS 62338-58-3), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate
Property Insights of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate 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 methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate?
The CAS number of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate is 62338-58-3.
What is the molecular formula of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate?
The molecular formula of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate is C12H18O2.
What is the molecular weight of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate?
The molecular weight of methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate is 194.13 g/mol.
Where can I buy methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate?
You can request a quote for methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-but-2-enylcyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.