Propanoic acid, 2,2-dimethyl-, 3-butynyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 3-butynyl ester (CAS 211510-44-0) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynyl 2,2-dimethylpropanoate
Also Known As: 3-Butynyl pivalate, UPCMLD00WJLM63, O-pivaloyl-3-butyn-1-ol, but-3-ynyl 2,2-dimethylpropanoate, Pivalic acid 3-butynyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.599 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 168.98221 |
Chemical Identifiers
| CAS Number | 211510-44-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCC#C |
Product Overview
Propanoic acid, 2,2-dimethyl-, 3-butynyl ester (CAS 211510-44-0), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: but-3-ynyl 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester
The XLogP value of 1.599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dimethyl-, 3-butynyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dimethyl-, 3-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 3-butynyl ester has 0 hydrogen bond donor(s) and 2 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 Propanoic acid, 2,2-dimethyl-, 3-butynyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester is 211510-44-0.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester is C9H14O2.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 3-butynyl ester is 154.10 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 3-butynyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 3-butynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 3-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 3-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.