Trimethyl orthoacetate
TL;DR: Trimethyl orthoacetate (CAS 1445-45-0) 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-trimethoxyethane
Also Known As: Trimethyl orthoacetate, 1,1,1-TRIMETHOXYETHANE, Ethane, 1,1,1-trimethoxy-, Methyl orthoacetate, tmoa
| Molecular Formula | C5H12O3 |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07864 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 1445-45-0 |
|---|---|
| SMILES | CC(OC)(OC)OC |
| InChIKey | HDPNBNXLBDFELL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl orthoacetate (CAS 1445-45-0), with molecular formula C5H12O3 and molecular weight 120.08 g/mol. IUPAC: 1,1,1-trimethoxyethane.
Chemical Property Profile of Trimethyl orthoacetate
Property Insights of Trimethyl orthoacetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl orthoacetate. With a topological polar surface area (TPSA) of 27.7 Ų, Trimethyl orthoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethyl orthoacetate has 0 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 Trimethyl orthoacetate?
The CAS number of Trimethyl orthoacetate is 1445-45-0.
What is the molecular formula of Trimethyl orthoacetate?
The molecular formula of Trimethyl orthoacetate is C5H12O3.
What is the molecular weight of Trimethyl orthoacetate?
The molecular weight of Trimethyl orthoacetate is 120.08 g/mol.
Where can I buy Trimethyl orthoacetate?
You can request a quote for Trimethyl orthoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl orthoacetate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl orthoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.