1,2,3-Butanetriol
TL;DR: 1,2,3-Butanetriol (CAS 4435-50-1) is a chemical compound with molecular formula C4H10O3 and molecular weight 106.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,2,3-triol
Also Known As: 1,2,3-Butanetriol, Butane-1,2,3-triol, 1,2,3-TRIHYDROXYBUTANE, METHYLGLYCERIN, 1,2,3-Butanetril
| Molecular Formula | C4H10O3 |
|---|---|
| Molecular Weight | 106.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.062996 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 4435-50-1 |
|---|---|
| SMILES | CC(C(CO)O)O |
| InChIKey | YAXKTBLXMTYWDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Butanetriol (CAS 4435-50-1), with molecular formula C4H10O3 and molecular weight 106.06 g/mol. IUPAC: butane-1,2,3-triol.
Chemical Property Profile of 1,2,3-Butanetriol
Property Insights of 1,2,3-Butanetriol
The XLogP value of -1.3 indicates that 1,2,3-Butanetriol 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 1,2,3-Butanetriol. Following Lipinski's Rule of Five, 1,2,3-Butanetriol 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 1,2,3-Butanetriol?
The CAS number of 1,2,3-Butanetriol is 4435-50-1.
What is the molecular formula of 1,2,3-Butanetriol?
The molecular formula of 1,2,3-Butanetriol is C4H10O3.
What is the molecular weight of 1,2,3-Butanetriol?
The molecular weight of 1,2,3-Butanetriol is 106.06 g/mol.
Where can I buy 1,2,3-Butanetriol?
You can request a quote for 1,2,3-Butanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Butanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Butanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.