1,1,1-三羟甲基乙烷
TL;DR: 1,1,1-三羟甲基乙烷 (CAS 77-85-0) 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.
1,1,1-三羟甲基乙烷
2-(hydroxymethyl)-2-methylpropane-1,3-diol
Also Known As: Trimethylolethane, 1,1,1-TRIS(HYDROXYMETHYL)ETHANE, Methriol, Metriol, Trimet
| Molecular Formula | C5H12O3 |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07864 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
| Melting Point | 204 °C |
| Boiling Point | 283 °C |
| Density | 1.210 g/cu cm at 20 °C |
| Solubility | Miscible in water and ethanol; insoluble in diethyl ether and benzene; very soluble in acetic acid |
Chemical Identifiers
| CAS Number | 77-85-0 |
|---|---|
| SMILES | CC(CO)(CO)CO |
| InChIKey | QXJQHYBHAIHNGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-三羟甲基乙烷 (CAS 77-85-0), with molecular formula C5H12O3 and molecular weight 120.08 g/mol. IUPAC: 2-(hydroxymethyl)-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,1,1-三羟甲基乙烷
Property Insights of 1,1,1-三羟甲基乙烷
The XLogP value of -1.2 indicates that 1,1,1-三羟甲基乙烷 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 1,1,1-三羟甲基乙烷. Following Lipinski's Rule of Five, 1,1,1-三羟甲基乙烷 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 1,1,1-三羟甲基乙烷?
The CAS number of 1,1,1-三羟甲基乙烷 is 77-85-0.
What is the molecular formula of 1,1,1-三羟甲基乙烷?
The molecular formula of 1,1,1-三羟甲基乙烷 is C5H12O3.
What is the molecular weight of 1,1,1-三羟甲基乙烷?
The molecular weight of 1,1,1-三羟甲基乙烷 is 120.08 g/mol.
Where can I buy 1,1,1-三羟甲基乙烷?
You can request a quote for 1,1,1-三羟甲基乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-三羟甲基乙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-三羟甲基乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.