4,7-二羟基-2,4,7,9-四甲基-5-癸炔
TL;DR: 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 (CAS 126-86-3) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-二羟基-2,4,7,9-四甲基-5-癸炔
2,4,7,9-tetramethyldec-5-yne-4,7-diol
Also Known As: 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL, Surfynol 104, Surfynol TG, Surfynol 104A, Surfynol 104E
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| Melting Point | 47 °C |
Chemical Identifiers
| CAS Number | 126-86-3 |
|---|---|
| SMILES | CC(C)CC(C)(C#CC(C)(CC(C)C)O)O |
| InChIKey | LXOFYPKXCSULTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-二羟基-2,4,7,9-四甲基-5-癸炔 (CAS 126-86-3), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: 2,4,7,9-tetramethyldec-5-yne-4,7-diol.
Chemical Property Profile of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔
Property Insights of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-二羟基-2,4,7,9-四甲基-5-癸炔. With a topological polar surface area (TPSA) of 40.5 Ų, 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 has 2 hydrogen bond donor(s) and 2 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 4,7-二羟基-2,4,7,9-四甲基-5-癸炔?
The CAS number of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 is 126-86-3.
What is the molecular formula of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔?
The molecular formula of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 is C14H26O2.
What is the molecular weight of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔?
The molecular weight of 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 is 226.19 g/mol.
Where can I buy 4,7-二羟基-2,4,7,9-四甲基-5-癸炔?
You can request a quote for 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-二羟基-2,4,7,9-四甲基-5-癸炔?
Yes, KEHONG BIO provides custom synthesis services for 4,7-二羟基-2,4,7,9-四甲基-5-癸炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.