Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-
TL;DR: Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- (CAS 63831-29-8) is a chemical compound with molecular formula C25H26O3 and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-(3-methylphenyl)butanoate
Also Known As: Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-, (3-phenoxyphenyl)methyl 3-methyl-2-(3-methylphenyl)butanoate
| Molecular Formula | C25H26O3 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 6.27032 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1882 |
| Heavy Atoms | 28 |
| Complexity | 915.84076 |
Chemical Identifiers
| CAS Number | 63831-29-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- (CAS 63831-29-8), with molecular formula C25H26O3 and molecular weight 374.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-(3-methylphenyl)butanoate.
Chemical Property Profile of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-
Property Insights of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-
The XLogP value of 6.27032 indicates that Benzeneacetic acid, 3-methyl-alpha-(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, Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3-methyl-alpha-(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 Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-?
The CAS number of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- is 63831-29-8.
What is the molecular formula of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-?
The molecular formula of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- is C25H26O3.
What is the molecular weight of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-?
The molecular weight of Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- is 374.19 g/mol.
Where can I buy Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-?
You can request a quote for Benzeneacetic acid, 3-methyl-alpha-(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 Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3-methyl-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.