3-Methylhept-1-yne
TL;DR: 3-Methylhept-1-yne (CAS 53293-03-1) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhept-1-yne
Also Known As: 3-methylhept-1-yne, 1-Heptyne, 3-methyl, 3-Methyl-1-heptyne
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 53293-03-1 |
|---|---|
| SMILES | CCCCC(C)C#C |
| InChIKey | ATKNUJMYQIQYAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylhept-1-yne (CAS 53293-03-1), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 3-methylhept-1-yne.
Chemical Property Profile of 3-Methylhept-1-yne
Property Insights of 3-Methylhept-1-yne
The XLogP value of 3.3 indicates that 3-Methylhept-1-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methylhept-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylhept-1-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 3-Methylhept-1-yne?
The CAS number of 3-Methylhept-1-yne is 53293-03-1.
What is the molecular formula of 3-Methylhept-1-yne?
The molecular formula of 3-Methylhept-1-yne is C8H14.
What is the molecular weight of 3-Methylhept-1-yne?
The molecular weight of 3-Methylhept-1-yne is 110.11 g/mol.
Where can I buy 3-Methylhept-1-yne?
You can request a quote for 3-Methylhept-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylhept-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylhept-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.