![4-[(2S)-pentan-2-yl]oxybenzoic acid structure](/static/products/1035/103576-25-6.webp)
4-[(2S)-pentan-2-yl]oxybenzoic acid
TL;DR: 4-[(2S)-pentan-2-yl]oxybenzoic acid (CAS 103576-25-6) 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.
4-[(2S)-pentan-2-yl]oxybenzoic acid
Also Known As: 4-pentan-2-yloxybenzoic Acid, 4-(1-methyl-butoxy)-benzoic acid, 4-[(2S)-pentan-2-yl]oxybenzoic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.9522 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 316.14404 |
Chemical Identifiers
| CAS Number | 103576-25-6 |
|---|---|
| SMILES | CCC[C@H](C)OC1=CC=C(C=C1)C(=O)O |
Product Overview
4-[(2S)-pentan-2-yl]oxybenzoic acid (CAS 103576-25-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-[(2S)-pentan-2-yl]oxybenzoic acid.
Chemical Property Profile of 4-[(2S)-pentan-2-yl]oxybenzoic acid
Property Insights of 4-[(2S)-pentan-2-yl]oxybenzoic acid
The XLogP value of 2.9522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2S)-pentan-2-yl]oxybenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-[(2S)-pentan-2-yl]oxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2S)-pentan-2-yl]oxybenzoic acid has 1 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 4-[(2S)-pentan-2-yl]oxybenzoic acid?
The CAS number of 4-[(2S)-pentan-2-yl]oxybenzoic acid is 103576-25-6.
What is the molecular formula of 4-[(2S)-pentan-2-yl]oxybenzoic acid?
The molecular formula of 4-[(2S)-pentan-2-yl]oxybenzoic acid is C12H16O3.
What is the molecular weight of 4-[(2S)-pentan-2-yl]oxybenzoic acid?
The molecular weight of 4-[(2S)-pentan-2-yl]oxybenzoic acid is 208.11 g/mol.
Where can I buy 4-[(2S)-pentan-2-yl]oxybenzoic acid?
You can request a quote for 4-[(2S)-pentan-2-yl]oxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2S)-pentan-2-yl]oxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2S)-pentan-2-yl]oxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.