2-甲基-3-苯基丁酸
TL;DR: 2-甲基-3-苯基丁酸 (CAS 19731-91-0) 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.
2-甲基-3-苯基丁酸
2-methyl-3-phenylbutanoic acid
Also Known As: 2-Methyl-3-phenylbutanoic acid, 2-Methyl-3-phenylbutyric acid, alpha,beta-Dimethyl-hydrocinnamic acid, alpha,beta-Dimethylhydrocinnamic acid, 2-Methyl-3-phenylbutanoic acid #
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6 |
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 19731-91-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(C)C(=O)O |
| InChIKey | NRYIIIVJCVRSSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-苯基丁酸 (CAS 19731-91-0), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-methyl-3-phenylbutanoic acid.
Chemical Property Profile of 2-甲基-3-苯基丁酸
Property Insights of 2-甲基-3-苯基丁酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-苯基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-甲基-3-苯基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-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 2-甲基-3-苯基丁酸?
The CAS number of 2-甲基-3-苯基丁酸 is 19731-91-0.
What is the molecular formula of 2-甲基-3-苯基丁酸?
The molecular formula of 2-甲基-3-苯基丁酸 is C11H14O2.
What is the molecular weight of 2-甲基-3-苯基丁酸?
The molecular weight of 2-甲基-3-苯基丁酸 is 178.10 g/mol.
Where can I buy 2-甲基-3-苯基丁酸?
You can request a quote for 2-甲基-3-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 2-甲基-3-苯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-苯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.