p-Anisic acid, neopentyl ester
TL;DR: p-Anisic acid, neopentyl ester (CAS 3581-72-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 4-methoxybenzoate
Also Known As: p-Anisic acid, neopentyl ester, p-Anisic acid neopentyl ester, Neopentyl 4-methoxybenzoate #, 2,2-dimethylpropyl 4-methoxybenzoate, 4-Methoxybenzoic acid, 2,2-dimethylpropyl ester
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3581-72-4 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C1=CC=C(C=C1)OC |
| InChIKey | LJNIFDFCWAKMHD-UHFFFAOYSA-N |
Product Overview
p-Anisic acid, neopentyl ester (CAS 3581-72-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2,2-dimethylpropyl 4-methoxybenzoate.
Chemical Property Profile of p-Anisic acid, neopentyl ester
Property Insights of p-Anisic acid, neopentyl ester
The XLogP value of 3.9 indicates that p-Anisic acid, neopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, p-Anisic acid, neopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Anisic acid, neopentyl ester 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 p-Anisic acid, neopentyl ester?
The CAS number of p-Anisic acid, neopentyl ester is 3581-72-4.
What is the molecular formula of p-Anisic acid, neopentyl ester?
The molecular formula of p-Anisic acid, neopentyl ester is C13H18O3.
What is the molecular weight of p-Anisic acid, neopentyl ester?
The molecular weight of p-Anisic acid, neopentyl ester is 222.13 g/mol.
Where can I buy p-Anisic acid, neopentyl ester?
You can request a quote for p-Anisic acid, neopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Anisic acid, neopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Anisic acid, neopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.