3-甲基-2-苯基丁酸
TL;DR: 3-甲基-2-苯基丁酸 (CAS 3508-94-9) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-苯基丁酸
3-methyl-2-phenylbutanoic acid
Also Known As: 3-methyl-2-phenylbutanoic acid, alpha-Isopropylphenylacetic acid, 3-Methyl-2-phenylbutyric acid, 2-ISOPROPYL-2-PHENYLACETIC ACID, 3-Methyl-2-phenyl-butyric acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 3508-94-9 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)C(=O)O |
| InChIKey | HDLQGISFYDYWFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-苯基丁酸 (CAS 3508-94-9), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-methyl-2-phenylbutanoic acid.
Chemical Property Profile of 3-甲基-2-苯基丁酸
Property Insights of 3-甲基-2-苯基丁酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-苯基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-甲基-2-苯基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-苯基丁酸 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 3-甲基-2-苯基丁酸?
The CAS number of 3-甲基-2-苯基丁酸 is 3508-94-9.
What is the molecular formula of 3-甲基-2-苯基丁酸?
The molecular formula of 3-甲基-2-苯基丁酸 is C11H14O2.
What is the molecular weight of 3-甲基-2-苯基丁酸?
The molecular weight of 3-甲基-2-苯基丁酸 is 178.10 g/mol.
Where can I buy 3-甲基-2-苯基丁酸?
You can request a quote for 3-甲基-2-苯基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-苯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-苯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.