Butanoic acid,2-ethyl-2-hydroxy-3-methyl
TL;DR: Butanoic acid,2-ethyl-2-hydroxy-3-methyl (CAS 61356-01-2) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Butanoic acid,2-ethyl-2-hydroxy-3-methyl, 3a,4,7,7a-Tetrahydro-2-(4-(2-oxo-2-phenylethoxy)phenyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-oxo-2-phenylethoxy)phenyl)-, 2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-[4-(2-Oxo-2-phenylethoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 3.4039 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 875.66986 |
Chemical Identifiers
| CAS Number | 61356-01-2 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)C4=CC=CC=C4 |
Product Overview
Butanoic acid,2-ethyl-2-hydroxy-3-methyl (CAS 61356-01-2), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: 2-(4-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Butanoic acid,2-ethyl-2-hydroxy-3-methyl
Property Insights of Butanoic acid,2-ethyl-2-hydroxy-3-methyl
The XLogP value of 3.4039 indicates that Butanoic acid,2-ethyl-2-hydroxy-3-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid,2-ethyl-2-hydroxy-3-methyl. Following Lipinski's Rule of Five, Butanoic acid,2-ethyl-2-hydroxy-3-methyl has 0 hydrogen bond donor(s) and 4 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 Butanoic acid,2-ethyl-2-hydroxy-3-methyl?
The CAS number of Butanoic acid,2-ethyl-2-hydroxy-3-methyl is 61356-01-2.
What is the molecular formula of Butanoic acid,2-ethyl-2-hydroxy-3-methyl?
The molecular formula of Butanoic acid,2-ethyl-2-hydroxy-3-methyl is C22H19NO4.
What is the molecular weight of Butanoic acid,2-ethyl-2-hydroxy-3-methyl?
The molecular weight of Butanoic acid,2-ethyl-2-hydroxy-3-methyl is 361.13 g/mol.
Where can I buy Butanoic acid,2-ethyl-2-hydroxy-3-methyl?
You can request a quote for Butanoic acid,2-ethyl-2-hydroxy-3-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid,2-ethyl-2-hydroxy-3-methyl?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid,2-ethyl-2-hydroxy-3-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.