Butyl cyclohex-3-ene-1-carboxylate
TL;DR: Butyl cyclohex-3-ene-1-carboxylate (CAS 37981-14-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl cyclohex-3-ene-1-carboxylate
Also Known As: Butyl cyclohex-3-ene-1-carboxylate, n-butyl 4-cyclohexenecarboxylate, EINECS 253-737-7, butyl cyclohex-3-enecarboxylate, butylcyclohex-3-ene-1-carboxylate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 184.5293 |
Chemical Identifiers
| CAS Number | 37981-14-9 |
|---|---|
| SMILES | CCCCOC(=O)C1CCC=CC1 |
Product Overview
Butyl cyclohex-3-ene-1-carboxylate (CAS 37981-14-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: butyl cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Butyl cyclohex-3-ene-1-carboxylate
Property Insights of Butyl cyclohex-3-ene-1-carboxylate
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl cyclohex-3-ene-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl cyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl cyclohex-3-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 Butyl cyclohex-3-ene-1-carboxylate?
The CAS number of Butyl cyclohex-3-ene-1-carboxylate is 37981-14-9.
What is the molecular formula of Butyl cyclohex-3-ene-1-carboxylate?
The molecular formula of Butyl cyclohex-3-ene-1-carboxylate is C11H18O2.
What is the molecular weight of Butyl cyclohex-3-ene-1-carboxylate?
The molecular weight of Butyl cyclohex-3-ene-1-carboxylate is 182.13 g/mol.
Where can I buy Butyl cyclohex-3-ene-1-carboxylate?
You can request a quote for Butyl cyclohex-3-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 Butyl cyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl cyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.