4-Methylhex-2-yne
TL;DR: 4-Methylhex-2-yne (CAS 20198-49-6) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhex-2-yne
Also Known As: 4-Methyl-2-hexyne, 4-methylhex-2-yne, 2-Hexyne, 4-methyl-, 2,6-Dibromoanisole, RefChem:1071169
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 20198-49-6 |
|---|---|
| SMILES | CCC(C)C#CC |
| InChIKey | ABEXZFRJQJSEBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylhex-2-yne (CAS 20198-49-6), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 4-methylhex-2-yne.
Chemical Property Profile of 4-Methylhex-2-yne
Property Insights of 4-Methylhex-2-yne
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylhex-2-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methylhex-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhex-2-yne 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 4-Methylhex-2-yne?
The CAS number of 4-Methylhex-2-yne is 20198-49-6.
What is the molecular formula of 4-Methylhex-2-yne?
The molecular formula of 4-Methylhex-2-yne is C7H12.
What is the molecular weight of 4-Methylhex-2-yne?
The molecular weight of 4-Methylhex-2-yne is 96.09 g/mol.
Where can I buy 4-Methylhex-2-yne?
You can request a quote for 4-Methylhex-2-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhex-2-yne?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhex-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.