己普拉醇
TL;DR: 己普拉醇 (CAS 15599-37-8) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己普拉醇
methyl (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate
Also Known As: EINECS 239-389-9, methyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-enoate, J1.244.303J, Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate, methyl (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2422 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 308.49765 |
Chemical Identifiers
| CAS Number | 15599-37-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=O)OC |
Product Overview
己普拉醇 (CAS 15599-37-8), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: methyl (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate.
Chemical Property Profile of 己普拉醇
Property Insights of 己普拉醇
The XLogP value of 3.2422 indicates that 己普拉醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 己普拉醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己普拉醇 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 己普拉醇?
The CAS number of 己普拉醇 is 15599-37-8.
What is the molecular formula of 己普拉醇?
The molecular formula of 己普拉醇 is C13H20O2.
What is the molecular weight of 己普拉醇?
The molecular weight of 己普拉醇 is 208.15 g/mol.
Where can I buy 己普拉醇?
You can request a quote for 己普拉醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己普拉醇?
Yes, KEHONG BIO provides custom synthesis services for 己普拉醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.