(S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate
TL;DR: (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate (CAS 127604-93-7) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
Also Known As: (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate, J1.326.995E, (3S)-4,4-dimethyl-2-oxooxolan-3-yl prop-2-enoate, (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-ylacrylate, [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 127604-93-7 |
|---|---|
| SMILES | CC1(COC(=O)[C@H]1OC(=O)C=C)C |
| InChIKey | ICMBTQSRUNSRKI-SSDOTTSWSA-N |
Product Overview
(S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate (CAS 127604-93-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate.
Chemical Property Profile of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate
Property Insights of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate. With a topological polar surface area (TPSA) of 52.6 Ų, (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate 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 (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate?
The CAS number of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate is 127604-93-7.
What is the molecular formula of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate?
The molecular formula of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate is C9H12O4.
What is the molecular weight of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate?
The molecular weight of (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate is 184.07 g/mol.
Where can I buy (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate?
You can request a quote for (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.