Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate
TL;DR: Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate (CAS 105949-86-8) is a chemical compound with molecular formula C5H8O5 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-1,2,4-trioxolane-3-carboxylate
Also Known As: Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate, 3-Methoxycarbonyl-3-methyl-1,2,4-trioxolane, 3-carbomethoxy-3-methyl-1,2,4-trioxolane, Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate #, 1,2,4-Trioxolane-3-carboxylicacid,3-methyl-,methylester(9CI)
| Molecular Formula | C5H8O5 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.03717 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 105949-86-8 |
|---|---|
| SMILES | CC1(OCOO1)C(=O)OC |
| InChIKey | IQYPEYMRXVZADC-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate (CAS 105949-86-8), with molecular formula C5H8O5 and molecular weight 148.04 g/mol. IUPAC: methyl 3-methyl-1,2,4-trioxolane-3-carboxylate.
Chemical Property Profile of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate
Property Insights of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate?
The CAS number of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate is 105949-86-8.
What is the molecular formula of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate?
The molecular formula of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate is C5H8O5.
What is the molecular weight of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate?
The molecular weight of Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate is 148.04 g/mol.
Where can I buy Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate?
You can request a quote for Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-1,2,4-trioxolane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.