2-(4-氯苯基)-2-甲基丙酸
TL;DR: 2-(4-氯苯基)-2-甲基丙酸 (CAS 6258-30-6) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-氯苯基)-2-甲基丙酸
2-(4-chlorophenyl)-2-methylpropanoic acid
Also Known As: 2-(4-Chlorophenyl)-2-methylpropanoic acid, 4-Chloro-alpha,alpha-dimethylphenylacetic acid, 2-(4-Chlorophenyl)-2-methylpropionic acid, 6-isocyanatoquinoline, p-chlorophenylisobutyric acid
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6258-30-6 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | SSFDAZXGUKDEAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-氯苯基)-2-甲基丙酸 (CAS 6258-30-6), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-(4-chlorophenyl)-2-methylpropanoic acid.
Chemical Property Profile of 2-(4-氯苯基)-2-甲基丙酸
Property Insights of 2-(4-氯苯基)-2-甲基丙酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-氯苯基)-2-甲基丙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-氯苯基)-2-甲基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-氯苯基)-2-甲基丙酸 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 2-(4-氯苯基)-2-甲基丙酸?
The CAS number of 2-(4-氯苯基)-2-甲基丙酸 is 6258-30-6.
What is the molecular formula of 2-(4-氯苯基)-2-甲基丙酸?
The molecular formula of 2-(4-氯苯基)-2-甲基丙酸 is C10H11ClO2.
What is the molecular weight of 2-(4-氯苯基)-2-甲基丙酸?
The molecular weight of 2-(4-氯苯基)-2-甲基丙酸 is 198.04 g/mol.
Where can I buy 2-(4-氯苯基)-2-甲基丙酸?
You can request a quote for 2-(4-氯苯基)-2-甲基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苯基)-2-甲基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苯基)-2-甲基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.