3,5-Octadiyne-2,7-diol
TL;DR: 3,5-Octadiyne-2,7-diol (CAS 14400-73-8) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octa-3,5-diyne-2,7-diol
Also Known As: 3,5-octadiyne-2,7-diol, octa-3,5-diyne-2,7-diol, RefChem:272040
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 14400-73-8 |
|---|---|
| SMILES | CC(C#CC#CC(C)O)O |
| InChIKey | SGGKZYNWSYKYTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Octadiyne-2,7-diol (CAS 14400-73-8), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: octa-3,5-diyne-2,7-diol.
Chemical Property Profile of 3,5-Octadiyne-2,7-diol
Property Insights of 3,5-Octadiyne-2,7-diol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Octadiyne-2,7-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-Octadiyne-2,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Octadiyne-2,7-diol 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 3,5-Octadiyne-2,7-diol?
The CAS number of 3,5-Octadiyne-2,7-diol is 14400-73-8.
What is the molecular formula of 3,5-Octadiyne-2,7-diol?
The molecular formula of 3,5-Octadiyne-2,7-diol is C8H10O2.
What is the molecular weight of 3,5-Octadiyne-2,7-diol?
The molecular weight of 3,5-Octadiyne-2,7-diol is 138.07 g/mol.
Where can I buy 3,5-Octadiyne-2,7-diol?
You can request a quote for 3,5-Octadiyne-2,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Octadiyne-2,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Octadiyne-2,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.