1,2,7,8-Octanetetrol
TL;DR: 1,2,7,8-Octanetetrol (CAS 52894-25-4) is a chemical compound with molecular formula C8H18O4 and molecular weight 178.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octane-1,2,7,8-tetrol
Also Known As: 1,2,7,8-Octanetetrol, Octane-1,2,7,8-tetrol, Butylene glycol, KST-1B5044
| Molecular Formula | C8H18O4 |
|---|---|
| Molecular Weight | 178.12 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.12051 |
| Heavy Atoms | 12 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 52894-25-4 |
|---|---|
| SMILES | C(CCC(CO)O)CC(CO)O |
| InChIKey | TZSZOUXLMCRLSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,7,8-Octanetetrol (CAS 52894-25-4), with molecular formula C8H18O4 and molecular weight 178.12 g/mol. IUPAC: octane-1,2,7,8-tetrol.
Chemical Property Profile of 1,2,7,8-Octanetetrol
Property Insights of 1,2,7,8-Octanetetrol
The XLogP value of -0.9 indicates that 1,2,7,8-Octanetetrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,7,8-Octanetetrol. Following Lipinski's Rule of Five, 1,2,7,8-Octanetetrol has 4 hydrogen bond donor(s) and 4 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 1,2,7,8-Octanetetrol?
The CAS number of 1,2,7,8-Octanetetrol is 52894-25-4.
What is the molecular formula of 1,2,7,8-Octanetetrol?
The molecular formula of 1,2,7,8-Octanetetrol is C8H18O4.
What is the molecular weight of 1,2,7,8-Octanetetrol?
The molecular weight of 1,2,7,8-Octanetetrol is 178.12 g/mol.
Where can I buy 1,2,7,8-Octanetetrol?
You can request a quote for 1,2,7,8-Octanetetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,7,8-Octanetetrol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,7,8-Octanetetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.