氢化肉桂酸对氯-β,β-二甲基
TL;DR: 氢化肉桂酸对氯-β,β-二甲基 (CAS 42288-16-4) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氢化肉桂酸对氯-β,β-二甲基
3-(4-chlorophenyl)-3-methylbutanoic acid
Also Known As: 3-(4-chlorophenyl)-3-methylbutanoic acid, 3- -3-methyl-butanoicacid, 3-Methyl-3-p-tolyl-buttersaeure, p-Chloro-beta,beta-dimethyl-hydrocinnamic acid, 3-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 42288-16-4 |
|---|---|
| SMILES | CC(C)(CC(=O)O)C1=CC=C(C=C1)Cl |
| InChIKey | GLJZKNOAPGCBHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氢化肉桂酸对氯-β,β-二甲基 (CAS 42288-16-4), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 3-(4-chlorophenyl)-3-methylbutanoic acid.
Chemical Property Profile of 氢化肉桂酸对氯-β,β-二甲基
Property Insights of 氢化肉桂酸对氯-β,β-二甲基
The XLogP value of 3.2 indicates that 氢化肉桂酸对氯-β,β-二甲基 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 氢化肉桂酸对氯-β,β-二甲基 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氢化肉桂酸对氯-β,β-二甲基 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 氢化肉桂酸对氯-β,β-二甲基?
The CAS number of 氢化肉桂酸对氯-β,β-二甲基 is 42288-16-4.
What is the molecular formula of 氢化肉桂酸对氯-β,β-二甲基?
The molecular formula of 氢化肉桂酸对氯-β,β-二甲基 is C11H13ClO2.
What is the molecular weight of 氢化肉桂酸对氯-β,β-二甲基?
The molecular weight of 氢化肉桂酸对氯-β,β-二甲基 is 212.06 g/mol.
Where can I buy 氢化肉桂酸对氯-β,β-二甲基?
You can request a quote for 氢化肉桂酸对氯-β,β-二甲基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氢化肉桂酸对氯-β,β-二甲基?
Yes, KEHONG BIO provides custom synthesis services for 氢化肉桂酸对氯-β,β-二甲基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.