5-Decyne-4,7-diol
TL;DR: 5-Decyne-4,7-diol (CAS 1070-40-2) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dec-5-yne-4,7-diol
Also Known As: 5-Decyne-4,7-diol, dec-5-yne-4,7-diol, 213-974-9, EINECS 213-974-9, RefChem:102444
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1070-40-2 |
|---|---|
| SMILES | CCCC(C#CC(CCC)O)O |
| InChIKey | DPWCXHJKJXRDBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Decyne-4,7-diol (CAS 1070-40-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: dec-5-yne-4,7-diol.
Chemical Property Profile of 5-Decyne-4,7-diol
Property Insights of 5-Decyne-4,7-diol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Decyne-4,7-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Decyne-4,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Decyne-4,7-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 5-Decyne-4,7-diol?
The CAS number of 5-Decyne-4,7-diol is 1070-40-2.
What is the molecular formula of 5-Decyne-4,7-diol?
The molecular formula of 5-Decyne-4,7-diol is C10H18O2.
What is the molecular weight of 5-Decyne-4,7-diol?
The molecular weight of 5-Decyne-4,7-diol is 170.13 g/mol.
Where can I buy 5-Decyne-4,7-diol?
You can request a quote for 5-Decyne-4,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Decyne-4,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Decyne-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.