Trimethylene carbonate
TL;DR: Trimethylene carbonate (CAS 33048-46-3) is a chemical compound with molecular formula C1COC(=O)OC1 and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxan-2-one
Also Known As: 1,3-Dioxan-2-one, Trimethylene Carbonate, m-Dioxan-2-one, 1,3-Carbonyldioxypropane, Polytrimethylene carbonate
| Molecular Formula | C1COC(=O)OC1 |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.03169 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 33048-46-3 |
|---|---|
| SMILES | C1COC(=O)OC1 |
| InChIKey | YFHICDDUDORKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylene carbonate (CAS 33048-46-3), with molecular formula C1COC(=O)OC1 and molecular weight 102.03 g/mol. IUPAC: 1,3-dioxan-2-one.
Chemical Property Profile of Trimethylene carbonate
Property Insights of Trimethylene carbonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylene carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, Trimethylene carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylene carbonate 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 Trimethylene carbonate?
The CAS number of Trimethylene carbonate is 33048-46-3.
What is the molecular formula of Trimethylene carbonate?
The molecular formula of Trimethylene carbonate is C1COC(=O)OC1.
What is the molecular weight of Trimethylene carbonate?
The molecular weight of Trimethylene carbonate is 102.03 g/mol.
Where can I buy Trimethylene carbonate?
You can request a quote for Trimethylene carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylene carbonate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylene carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.