3-Octyne, 7-methyl-
TL;DR: 3-Octyne, 7-methyl- (CAS 37050-06-9) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloct-3-yne
Also Known As: 7-Methyl-3-octyne, 7-methyloct-3-yne, 3-Octyne, 7-methyl-, 1-Ethyl-2-isoamylacetylene, ZDXUMWBWHSCWBK-UHFFFAOYSA-
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 37050-06-9 |
|---|---|
| SMILES | CCC#CCCC(C)C |
| InChIKey | ZDXUMWBWHSCWBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octyne, 7-methyl- (CAS 37050-06-9), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 7-methyloct-3-yne.
Chemical Property Profile of 3-Octyne, 7-methyl-
Property Insights of 3-Octyne, 7-methyl-
The XLogP value of 3.6 indicates that 3-Octyne, 7-methyl- 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-Octyne, 7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octyne, 7-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 3-Octyne, 7-methyl-?
The CAS number of 3-Octyne, 7-methyl- is 37050-06-9.
What is the molecular formula of 3-Octyne, 7-methyl-?
The molecular formula of 3-Octyne, 7-methyl- is C9H16.
What is the molecular weight of 3-Octyne, 7-methyl-?
The molecular weight of 3-Octyne, 7-methyl- is 124.13 g/mol.
Where can I buy 3-Octyne, 7-methyl-?
You can request a quote for 3-Octyne, 7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octyne, 7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Octyne, 7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.