(S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
TL;DR: (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate (CAS 90472-93-8) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
Also Known As: (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate, (S)-methyl-4,5-isopropylidene-2-pentanoate, methyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate, (S)-methyl 4,5-isopropylidene-2-pentanoate, (S)-Methyl3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.0911 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 188.05373 |
Chemical Identifiers
| CAS Number | 90472-93-8 |
|---|---|
| SMILES | CC1(OC[C@@H](O1)CCC(=O)OC)C |
Product Overview
(S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate (CAS 90472-93-8), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: methyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.
Chemical Property Profile of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
Property Insights of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
The XLogP value of 1.0911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate. With a topological polar surface area (TPSA) of 44.76 Ų, (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate 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)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The CAS number of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate is 90472-93-8.
What is the molecular formula of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The molecular formula of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate is C9H16O4.
What is the molecular weight of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The molecular weight of (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate is 188.10 g/mol.
Where can I buy (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
You can request a quote for (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.