3-Hydroxymethylpentane-1,5-diol
TL;DR: 3-Hydroxymethylpentane-1,5-diol (CAS 998-12-9) is a chemical compound with molecular formula C6H14O3 and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)pentane-1,5-diol
Also Known As: 3-(hydroxymethyl)pentane-1,5-diol, 3-Hydroxymethylpentane-1,5-diol, 3-methylol-1,5-pentanediol, 3-Hydroxymethyl-1,5-pentanediol, , 3-Hydroxymethylpentane-1,5-diol, CID70458, 998-12-9
| Molecular Formula | C6H14O3 |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.0943 |
| Heavy Atoms | 9 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 998-12-9 |
|---|---|
| SMILES | C(CO)C(CCO)CO |
| InChIKey | WXSRRNYRGPTTNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxymethylpentane-1,5-diol (CAS 998-12-9), with molecular formula C6H14O3 and molecular weight 134.09 g/mol. IUPAC: 3-(hydroxymethyl)pentane-1,5-diol.
Chemical Property Profile of 3-Hydroxymethylpentane-1,5-diol
Property Insights of 3-Hydroxymethylpentane-1,5-diol
The XLogP value of -0.9 indicates that 3-Hydroxymethylpentane-1,5-diol 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 3-Hydroxymethylpentane-1,5-diol. Following Lipinski's Rule of Five, 3-Hydroxymethylpentane-1,5-diol 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 3-Hydroxymethylpentane-1,5-diol?
The CAS number of 3-Hydroxymethylpentane-1,5-diol is 998-12-9.
What is the molecular formula of 3-Hydroxymethylpentane-1,5-diol?
The molecular formula of 3-Hydroxymethylpentane-1,5-diol is C6H14O3.
What is the molecular weight of 3-Hydroxymethylpentane-1,5-diol?
The molecular weight of 3-Hydroxymethylpentane-1,5-diol is 134.09 g/mol.
Where can I buy 3-Hydroxymethylpentane-1,5-diol?
You can request a quote for 3-Hydroxymethylpentane-1,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethylpentane-1,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethylpentane-1,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.