Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
TL;DR: Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS 78086-72-3) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Also Known As: Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, (4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate, Methyl (2R,3S)-2,3-O-isopropylidene-2,3-dihydroxybutyrate, 4-Deoxy-2,3-O-isopropylidene-L-threonic acid methyl ester
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.6994 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 187.49689 |
Chemical Identifiers
| CAS Number | 78086-72-3 |
|---|---|
| SMILES | C[C@H]1[C@@H](OC(O1)(C)C)C(=O)OC |
Product Overview
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS 78086-72-3), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate.
Chemical Property Profile of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Property Insights of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
The XLogP value of 0.6994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The CAS number of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is 78086-72-3.
What is the molecular formula of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The molecular formula of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is C8H14O4.
What is the molecular weight of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The molecular weight of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is 174.09 g/mol.
Where can I buy Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
You can request a quote for Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.