2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene
TL;DR: 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene (CAS 73395-75-2) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-1-en-3-ynyl-1,3,3-trimethylcyclohexene
Also Known As: 2-but-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene, (E)-BUTEN-3-YNYL-2,6,6-TRIMETHYL-1-CYCLOHEXENE, 2-but-1-en-3-ynyl-1,3,3-trimethylcyclohexene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 3.7024 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 281.6504 |
Chemical Identifiers
| CAS Number | 73395-75-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC#C |
Product Overview
2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene (CAS 73395-75-2), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 2-but-1-en-3-ynyl-1,3,3-trimethylcyclohexene.
Chemical Property Profile of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene
Property Insights of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene
The XLogP value of 3.7024 indicates that 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene has 0 hydrogen bond donor(s) and 0 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 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene?
The CAS number of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene is 73395-75-2.
What is the molecular formula of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene?
The molecular formula of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene is C13H18.
What is the molecular weight of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene?
The molecular weight of 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene is 174.14 g/mol.
Where can I buy 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene?
You can request a quote for 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 2-But-1-en-3-ynyl-1,3,3-trimethyl-cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.