β-(β-异杜基)丙酸
TL;DR: β-(β-异杜基)丙酸 (CAS 63815-32-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-(β-异杜基)丙酸
2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid
Also Known As: Propionic acid, beta-(beta-isodurylyl)-, 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid, 3-(2,4,6-Trimethoxybenzoyl)propionic acid, 2,2'-hexanediyldioxy-di-benzaldehyde, alpha,2,4,6-Tetramethyl-beta-oxobenzenepropionic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 63815-32-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)C(C)C(=O)O)C |
| InChIKey | BNXYGYJTTAFHEE-UHFFFAOYSA-N |
Product Overview
β-(β-异杜基)丙酸 (CAS 63815-32-7), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid.
Chemical Property Profile of β-(β-异杜基)丙酸
Property Insights of β-(β-异杜基)丙酸
The XLogP value of 3.0 indicates that β-(β-异杜基)丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, β-(β-异杜基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-(β-异杜基)丙酸 has 1 hydrogen bond donor(s) and 3 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 β-(β-异杜基)丙酸?
The CAS number of β-(β-异杜基)丙酸 is 63815-32-7.
What is the molecular formula of β-(β-异杜基)丙酸?
The molecular formula of β-(β-异杜基)丙酸 is C13H16O3.
What is the molecular weight of β-(β-异杜基)丙酸?
The molecular weight of β-(β-异杜基)丙酸 is 220.11 g/mol.
Where can I buy β-(β-异杜基)丙酸?
You can request a quote for β-(β-异杜基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-(β-异杜基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for β-(β-异杜基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.