5-Oxa-2-heptyne-1,7-diol
TL;DR: 5-Oxa-2-heptyne-1,7-diol (CAS 1606-84-4) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethoxy)but-2-yn-1-ol
Also Known As: 5-Oxa-2-heptyne-1,7-diol, 4-(2-hydroxyethoxy)but-2-yn-1-ol, 4-(2-Hydroxyethoxy)-2-butyn-1-ol, 2-Butyn-1-ol,4-(2-hydroxyethoxy)-, 2-Butyn-1-ol, 4-(2-hydroxyethoxy)-
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 1606-84-4 |
|---|---|
| SMILES | C(COCC#CCO)O |
| InChIKey | IYPXDXFMIFEISF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxa-2-heptyne-1,7-diol (CAS 1606-84-4), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 4-(2-hydroxyethoxy)but-2-yn-1-ol.
Chemical Property Profile of 5-Oxa-2-heptyne-1,7-diol
Property Insights of 5-Oxa-2-heptyne-1,7-diol
The XLogP value of -1.2 indicates that 5-Oxa-2-heptyne-1,7-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.7 Ų, 5-Oxa-2-heptyne-1,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxa-2-heptyne-1,7-diol has 2 hydrogen bond donor(s) and 3 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-Oxa-2-heptyne-1,7-diol?
The CAS number of 5-Oxa-2-heptyne-1,7-diol is 1606-84-4.
What is the molecular formula of 5-Oxa-2-heptyne-1,7-diol?
The molecular formula of 5-Oxa-2-heptyne-1,7-diol is C6H10O3.
What is the molecular weight of 5-Oxa-2-heptyne-1,7-diol?
The molecular weight of 5-Oxa-2-heptyne-1,7-diol is 130.06 g/mol.
Where can I buy 5-Oxa-2-heptyne-1,7-diol?
You can request a quote for 5-Oxa-2-heptyne-1,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxa-2-heptyne-1,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxa-2-heptyne-1,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.