2-苄基-3,3-二甲基丁酸
TL;DR: 2-苄基-3,3-二甲基丁酸 (CAS 59732-24-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苄基-3,3-二甲基丁酸
2-benzyl-3,3-dimethylbutanoic acid
Also Known As: 2-Benzyl-3,3-dimethylbutanoic acid, Maybridge3_002890, alpha-(tert-Butyl)hydrocinnamic acid, alpha-benzyl-tert-butylacetic acid, A-(tert-Butyl)hydrocinnamic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 59732-24-0 |
|---|---|
| SMILES | CC(C)(C)C(CC1=CC=CC=C1)C(=O)O |
| InChIKey | UKWWMMXKMDNJEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苄基-3,3-二甲基丁酸 (CAS 59732-24-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-benzyl-3,3-dimethylbutanoic acid.
Chemical Property Profile of 2-苄基-3,3-二甲基丁酸
Property Insights of 2-苄基-3,3-二甲基丁酸
The XLogP value of 3.4 indicates that 2-苄基-3,3-二甲基丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-苄基-3,3-二甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苄基-3,3-二甲基丁酸 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-苄基-3,3-二甲基丁酸?
The CAS number of 2-苄基-3,3-二甲基丁酸 is 59732-24-0.
What is the molecular formula of 2-苄基-3,3-二甲基丁酸?
The molecular formula of 2-苄基-3,3-二甲基丁酸 is C13H18O2.
What is the molecular weight of 2-苄基-3,3-二甲基丁酸?
The molecular weight of 2-苄基-3,3-二甲基丁酸 is 206.13 g/mol.
Where can I buy 2-苄基-3,3-二甲基丁酸?
You can request a quote for 2-苄基-3,3-二甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苄基-3,3-二甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苄基-3,3-二甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.