methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
TL;DR: methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS 38410-80-9) 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 (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Also Known As: Fospirat, starbld0008064, methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, (4S,5S)-2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester, J1.985.955J
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 38410-80-9 |
|---|---|
| SMILES | C[C@H]1[C@H](OC(O1)(C)C)C(=O)OC |
| InChIKey | AELKYRWKHKGMAD-WDSKDSINSA-N |
Product Overview
methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS 38410-80-9), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate.
Chemical Property Profile of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Property Insights of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, methyl (4S,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 (4S,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 (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The CAS number of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is 38410-80-9.
What is the molecular formula of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The molecular formula of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is C8H14O4.
What is the molecular weight of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
The molecular weight of methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is 174.09 g/mol.
Where can I buy methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
You can request a quote for methyl (4S,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 (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.