2-苯基异丁酸
TL;DR: 2-苯基异丁酸 (CAS 826-55-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基异丁酸
2-methyl-2-phenylpropanoic acid
Also Known As: 2-Phenylisobutyric acid, 2-methyl-2-phenylpropanoic acid, 2-Methyl-2-phenylpropionic acid, Cuminic acid, Phenylisobuttersaure
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 826-55-1 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C(=O)O |
| InChIKey | YYEROYLAYAVZNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基异丁酸 (CAS 826-55-1), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-methyl-2-phenylpropanoic acid.
Chemical Property Profile of 2-苯基异丁酸
Property Insights of 2-苯基异丁酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯基异丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-苯基异丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基异丁酸 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-苯基异丁酸?
The CAS number of 2-苯基异丁酸 is 826-55-1.
What is the molecular formula of 2-苯基异丁酸?
The molecular formula of 2-苯基异丁酸 is C10H12O2.
What is the molecular weight of 2-苯基异丁酸?
The molecular weight of 2-苯基异丁酸 is 164.08 g/mol.
Where can I buy 2-苯基异丁酸?
You can request a quote for 2-苯基异丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基异丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基异丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.