(4-丁氧基-3-甲基苯基)乙酸
TL;DR: (4-丁氧基-3-甲基苯基)乙酸 (CAS 4547-59-5) 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.
(4-丁氧基-3-甲基苯基)乙酸
2-(4-butoxy-3-methylphenyl)acetic acid
Also Known As: (p-Butoxy)-m-tolylacetic acid, (4-Butoxy-3-methylphenyl)acetic acid, ACETIC ACID, (4-BUTOXY-m-TOLYL)-, 2-(4-butoxy-3-methylphenyl)acetic acid, Benzeneacetic acid, 4-butoxy-3-methyl-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4547-59-5 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CC(=O)O)C |
| InChIKey | BRBTWQMWSVOGOW-UHFFFAOYSA-N |
Product Overview
(4-丁氧基-3-甲基苯基)乙酸 (CAS 4547-59-5), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-(4-butoxy-3-methylphenyl)acetic acid.
Chemical Property Profile of (4-丁氧基-3-甲基苯基)乙酸
Property Insights of (4-丁氧基-3-甲基苯基)乙酸
The XLogP value of 3.1 indicates that (4-丁氧基-3-甲基苯基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (4-丁氧基-3-甲基苯基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-丁氧基-3-甲基苯基)乙酸 has 1 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 (4-丁氧基-3-甲基苯基)乙酸?
The CAS number of (4-丁氧基-3-甲基苯基)乙酸 is 4547-59-5.
What is the molecular formula of (4-丁氧基-3-甲基苯基)乙酸?
The molecular formula of (4-丁氧基-3-甲基苯基)乙酸 is C13H18O3.
What is the molecular weight of (4-丁氧基-3-甲基苯基)乙酸?
The molecular weight of (4-丁氧基-3-甲基苯基)乙酸 is 222.13 g/mol.
Where can I buy (4-丁氧基-3-甲基苯基)乙酸?
You can request a quote for (4-丁氧基-3-甲基苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-丁氧基-3-甲基苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (4-丁氧基-3-甲基苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.