4-对甲苯基-4-氧代丁酸
TL;DR: 4-对甲苯基-4-氧代丁酸 (CAS 4619-20-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-对甲苯基-4-氧代丁酸
4-(4-methylphenyl)-4-oxobutanoic acid
Also Known As: 4-Oxo-4-(p-tolyl)butanoic acid, 3-(4-Methylbenzoyl)propionic acid, 4-(4-Methylphenyl)-4-oxobutanoic acid, Zolpidem Impurity, 3-p-Toluoylpropionic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4619-20-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-对甲苯基-4-氧代丁酸 (CAS 4619-20-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-(4-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-对甲苯基-4-氧代丁酸
Property Insights of 4-对甲苯基-4-氧代丁酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-对甲苯基-4-氧代丁酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-对甲苯基-4-氧代丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-对甲苯基-4-氧代丁酸 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-对甲苯基-4-氧代丁酸?
The CAS number of 4-对甲苯基-4-氧代丁酸 is 4619-20-9.
What is the molecular formula of 4-对甲苯基-4-氧代丁酸?
The molecular formula of 4-对甲苯基-4-氧代丁酸 is C11H12O3.
What is the molecular weight of 4-对甲苯基-4-氧代丁酸?
The molecular weight of 4-对甲苯基-4-氧代丁酸 is 192.08 g/mol.
Where can I buy 4-对甲苯基-4-氧代丁酸?
You can request a quote for 4-对甲苯基-4-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-对甲苯基-4-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-对甲苯基-4-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.