Methyl 2-methyl-1,3-dioxolane-2-butanoate
TL;DR: Methyl 2-methyl-1,3-dioxolane-2-butanoate (CAS 29310-39-2) 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 4-(2-methyl-1,3-dioxolan-2-yl)butanoate
Also Known As: Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate, Methyl 2-methyl-1,3-dioxolane-2-butanoate, Methyl 2-methyl-I,3-dioxolane-2-butanoate, 1,3-Dioxolane-2-butanoic acid, 2-methyl-, methyl ester, RefChem:814511
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.0927 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 172.45352 |
Chemical Identifiers
| CAS Number | 29310-39-2 |
|---|---|
| SMILES | CC1(OCCO1)CCCC(=O)OC |
Product Overview
Methyl 2-methyl-1,3-dioxolane-2-butanoate (CAS 29310-39-2), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate.
Chemical Property Profile of Methyl 2-methyl-1,3-dioxolane-2-butanoate
Property Insights of Methyl 2-methyl-1,3-dioxolane-2-butanoate
The XLogP value of 1.0927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-1,3-dioxolane-2-butanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 2-methyl-1,3-dioxolane-2-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-1,3-dioxolane-2-butanoate 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 2-methyl-1,3-dioxolane-2-butanoate?
The CAS number of Methyl 2-methyl-1,3-dioxolane-2-butanoate is 29310-39-2.
What is the molecular formula of Methyl 2-methyl-1,3-dioxolane-2-butanoate?
The molecular formula of Methyl 2-methyl-1,3-dioxolane-2-butanoate is C9H16O4.
What is the molecular weight of Methyl 2-methyl-1,3-dioxolane-2-butanoate?
The molecular weight of Methyl 2-methyl-1,3-dioxolane-2-butanoate is 188.10 g/mol.
Where can I buy Methyl 2-methyl-1,3-dioxolane-2-butanoate?
You can request a quote for Methyl 2-methyl-1,3-dioxolane-2-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-1,3-dioxolane-2-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-1,3-dioxolane-2-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.