Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
TL;DR: Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 62391-88-2) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-propan-2-ylbutanoate
Also Known As: Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 3-methyl-2-propan-2-ylbutanoate, (3-Phenoxyphenyl)methyl 3-methyl-2-(propan-2-yl)butanoate
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 5.4503 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 639.14325 |
Chemical Identifiers
| CAS Number | 62391-88-2 |
|---|---|
| SMILES | CC(C)C(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
Product Overview
Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester (CAS 62391-88-2), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-propan-2-ylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
Property Insights of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
The XLogP value of 5.4503 indicates that Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The CAS number of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 62391-88-2.
What is the molecular formula of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is C21H26O3.
What is the molecular weight of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester is 326.19 g/mol.
Where can I buy Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-2-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.