Pentane-2,3,4-triol
TL;DR: Pentane-2,3,4-triol (CAS 14642-48-9) is a chemical compound with molecular formula C5H12O3 and molecular weight 120.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-2,3,4-triol
Also Known As: pentane-2,3,4-triol, 2,3,4-Pentanetriol, Pentitol, 1,5-dideoxy-, 1,5-Dideoxypentitol, 2,3,4-pentantriol
| Molecular Formula | C5H12O3 |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.07864 |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 14642-48-9 |
|---|---|
| SMILES | CC(C(C(C)O)O)O |
| InChIKey | JJAIIULJXXEFLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane-2,3,4-triol (CAS 14642-48-9), with molecular formula C5H12O3 and molecular weight 120.08 g/mol. IUPAC: pentane-2,3,4-triol.
Chemical Property Profile of Pentane-2,3,4-triol
Property Insights of Pentane-2,3,4-triol
The XLogP value of -0.9 indicates that Pentane-2,3,4-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentane-2,3,4-triol. Following Lipinski's Rule of Five, Pentane-2,3,4-triol has 3 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 Pentane-2,3,4-triol?
The CAS number of Pentane-2,3,4-triol is 14642-48-9.
What is the molecular formula of Pentane-2,3,4-triol?
The molecular formula of Pentane-2,3,4-triol is C5H12O3.
What is the molecular weight of Pentane-2,3,4-triol?
The molecular weight of Pentane-2,3,4-triol is 120.08 g/mol.
Where can I buy Pentane-2,3,4-triol?
You can request a quote for Pentane-2,3,4-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-2,3,4-triol?
Yes, KEHONG BIO provides custom synthesis services for Pentane-2,3,4-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.