Hept-3-yne-2,5-diol
TL;DR: Hept-3-yne-2,5-diol (CAS 50407-30-2) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-3-yne-2,5-diol
Also Known As: Hept-3-yne-2,5-diol, 3-Heptyne-2,5-diol, EINECS 256-580-2
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.1415 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 118.613174 |
Chemical Identifiers
| CAS Number | 50407-30-2 |
|---|---|
| SMILES | CCC(C#CC(C)O)O |
Product Overview
Hept-3-yne-2,5-diol (CAS 50407-30-2), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: hept-3-yne-2,5-diol.
Chemical Property Profile of Hept-3-yne-2,5-diol
Property Insights of Hept-3-yne-2,5-diol
The XLogP value of 0.1415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-3-yne-2,5-diol. With a topological polar surface area (TPSA) of 40.46 Ų, Hept-3-yne-2,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-3-yne-2,5-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 Hept-3-yne-2,5-diol?
The CAS number of Hept-3-yne-2,5-diol is 50407-30-2.
What is the molecular formula of Hept-3-yne-2,5-diol?
The molecular formula of Hept-3-yne-2,5-diol is C7H12O2.
What is the molecular weight of Hept-3-yne-2,5-diol?
The molecular weight of Hept-3-yne-2,5-diol is 128.08 g/mol.
Where can I buy Hept-3-yne-2,5-diol?
You can request a quote for Hept-3-yne-2,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-3-yne-2,5-diol?
Yes, KEHONG BIO provides custom synthesis services for Hept-3-yne-2,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.