butyl (2R,3S)-3-methyloxirane-2-carboxylate
TL;DR: butyl (2R,3S)-3-methyloxirane-2-carboxylate (CAS 111832-26-9) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2R,3S)-3-methyloxirane-2-carboxylate
Also Known As: DL-Aspartic acid,3-ethyl, butyl (2R,3S)-3-methyloxirane-2-carboxylate, butyl (3S,2R)-3-methyloxirane-2-carboxylate, J2.652.211K, N-BUTYL (2R,3S)-(-)-2,3-EPOXYBUTYRATE
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.117 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 144.2726 |
Chemical Identifiers
| CAS Number | 111832-26-9 |
|---|---|
| SMILES | CCCCOC(=O)[C@H]1[C@@H](O1)C |
Product Overview
butyl (2R,3S)-3-methyloxirane-2-carboxylate (CAS 111832-26-9), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: butyl (2R,3S)-3-methyloxirane-2-carboxylate.
Chemical Property Profile of butyl (2R,3S)-3-methyloxirane-2-carboxylate
Property Insights of butyl (2R,3S)-3-methyloxirane-2-carboxylate
The XLogP value of 1.117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl (2R,3S)-3-methyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.83 Ų, butyl (2R,3S)-3-methyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl (2R,3S)-3-methyloxirane-2-carboxylate 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 butyl (2R,3S)-3-methyloxirane-2-carboxylate?
The CAS number of butyl (2R,3S)-3-methyloxirane-2-carboxylate is 111832-26-9.
What is the molecular formula of butyl (2R,3S)-3-methyloxirane-2-carboxylate?
The molecular formula of butyl (2R,3S)-3-methyloxirane-2-carboxylate is C8H14O3.
What is the molecular weight of butyl (2R,3S)-3-methyloxirane-2-carboxylate?
The molecular weight of butyl (2R,3S)-3-methyloxirane-2-carboxylate is 158.09 g/mol.
Where can I buy butyl (2R,3S)-3-methyloxirane-2-carboxylate?
You can request a quote for butyl (2R,3S)-3-methyloxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl (2R,3S)-3-methyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl (2R,3S)-3-methyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.