2,2-二甲基丙酸4-甲氧基苯酯
TL;DR: 2,2-二甲基丙酸4-甲氧基苯酯 (CAS 19820-47-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基丙酸4-甲氧基苯酯
(4-methoxyphenyl) 2,2-dimethylpropanoate
Also Known As: 4-Methoxyphenyl Pivalate, 4-methoxyphenyl 2,2-dimethylpropanoate, 1-(Pivaloyloxy)-4-methoxybenzene, 2,2-Dimethylpropanoic acid, 4-methoxyphenyl ester, Pivalic acid 4-methoxyphenyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 19820-47-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC=C(C=C1)OC |
| InChIKey | ASIMJPKPWCJCKI-UHFFFAOYSA-N |
Product Overview
2,2-二甲基丙酸4-甲氧基苯酯 (CAS 19820-47-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (4-methoxyphenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 2,2-二甲基丙酸4-甲氧基苯酯
Property Insights of 2,2-二甲基丙酸4-甲氧基苯酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基丙酸4-甲氧基苯酯. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-二甲基丙酸4-甲氧基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丙酸4-甲氧基苯酯 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 2,2-二甲基丙酸4-甲氧基苯酯?
The CAS number of 2,2-二甲基丙酸4-甲氧基苯酯 is 19820-47-4.
What is the molecular formula of 2,2-二甲基丙酸4-甲氧基苯酯?
The molecular formula of 2,2-二甲基丙酸4-甲氧基苯酯 is C12H16O3.
What is the molecular weight of 2,2-二甲基丙酸4-甲氧基苯酯?
The molecular weight of 2,2-二甲基丙酸4-甲氧基苯酯 is 208.11 g/mol.
Where can I buy 2,2-二甲基丙酸4-甲氧基苯酯?
You can request a quote for 2,2-二甲基丙酸4-甲氧基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基丙酸4-甲氧基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丙酸4-甲氧基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.