3-Methyl-1-pentyne
TL;DR: 3-Methyl-1-pentyne (CAS 922-59-8) is a chemical compound with molecular formula CCC(C)C#C and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-1-yne
Also Known As: 3-Methyl-1-pentyne, 3-methylpent-1-yne, 1-Pentyne, 3-methyl-, SEC-BUTYLACETYLENE, 2-ETHYL-3-BUTYNE
| Molecular Formula | CCC(C)C#C |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 922-59-8 |
|---|---|
| SMILES | CCC(C)C#C |
| InChIKey | PLHJCCHSCFNKCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-pentyne (CAS 922-59-8), with molecular formula CCC(C)C#C and molecular weight 82.08 g/mol. IUPAC: 3-methylpent-1-yne.
Chemical Property Profile of 3-Methyl-1-pentyne
Property Insights of 3-Methyl-1-pentyne
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-pentyne. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyl-1-pentyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-pentyne 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 3-Methyl-1-pentyne?
The CAS number of 3-Methyl-1-pentyne is 922-59-8.
What is the molecular formula of 3-Methyl-1-pentyne?
The molecular formula of 3-Methyl-1-pentyne is CCC(C)C#C.
What is the molecular weight of 3-Methyl-1-pentyne?
The molecular weight of 3-Methyl-1-pentyne is 82.08 g/mol.
Where can I buy 3-Methyl-1-pentyne?
You can request a quote for 3-Methyl-1-pentyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-pentyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-pentyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.