1-Butyne, 3-methyl
TL;DR: 1-Butyne, 3-methyl (CAS 56897-57-5) is a chemical compound with molecular formula C5H7 and molecular weight 67.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 1-Butyne, 3-methyl, HC.equiv.CC(CH3)2, 2-methyl-3-butyn-2-yl, 2-methylbut-3-yn-2-yl, 3-methylbut-1-yn-3-yl
| Molecular Formula | C5H7 |
|---|---|
| Molecular Weight | 67.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.05477 |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 56897-57-5 |
|---|---|
| SMILES | CC(=C=[CH])C |
| InChIKey | UBVYXPFZHYUPRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyne, 3-methyl (CAS 56897-57-5), with molecular formula C5H7 and molecular weight 67.05 g/mol.
Chemical Property Profile of 1-Butyne, 3-methyl
Property Insights of 1-Butyne, 3-methyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyne, 3-methyl. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butyne, 3-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyne, 3-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 1-Butyne, 3-methyl?
The CAS number of 1-Butyne, 3-methyl is 56897-57-5.
What is the molecular formula of 1-Butyne, 3-methyl?
The molecular formula of 1-Butyne, 3-methyl is C5H7.
What is the molecular weight of 1-Butyne, 3-methyl?
The molecular weight of 1-Butyne, 3-methyl is 67.05 g/mol.
Where can I buy 1-Butyne, 3-methyl?
You can request a quote for 1-Butyne, 3-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyne, 3-methyl?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyne, 3-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.