2-Penten-4-yne, 2-methyl-
TL;DR: 2-Penten-4-yne, 2-methyl- (CAS 1595-53-5) is a chemical compound with molecular formula C6H8 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-3-en-1-yne
Also Known As: 4-Methyl-3-penten-1-yne, 4-methylpent-3-en-1-yne, 2-methylpent-2-ene-4-yne, 2-methylpent-2-en-4-yne, 2-Penten-4-yne, 2-methyl-
| Molecular Formula | C6H8 |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 1595-53-5 |
|---|---|
| SMILES | CC(=CC#C)C |
| InChIKey | XTVVYQMNTDBDNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Penten-4-yne, 2-methyl- (CAS 1595-53-5), with molecular formula C6H8 and molecular weight 80.06 g/mol. IUPAC: 4-methylpent-3-en-1-yne.
Chemical Property Profile of 2-Penten-4-yne, 2-methyl-
Property Insights of 2-Penten-4-yne, 2-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Penten-4-yne, 2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Penten-4-yne, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Penten-4-yne, 2-methyl- 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-Penten-4-yne, 2-methyl-?
The CAS number of 2-Penten-4-yne, 2-methyl- is 1595-53-5.
What is the molecular formula of 2-Penten-4-yne, 2-methyl-?
The molecular formula of 2-Penten-4-yne, 2-methyl- is C6H8.
What is the molecular weight of 2-Penten-4-yne, 2-methyl-?
The molecular weight of 2-Penten-4-yne, 2-methyl- is 80.06 g/mol.
Where can I buy 2-Penten-4-yne, 2-methyl-?
You can request a quote for 2-Penten-4-yne, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Penten-4-yne, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Penten-4-yne, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.