m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate
TL;DR: m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate (CAS 112473-83-3) is a chemical compound with molecular formula C28H26O3 and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-naphthalen-2-ylbutanoate
Also Known As: m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate, (3-phenoxyphenyl)methyl 3-methyl-2-naphthalen-2-yl-butanoate, (3-phenoxyphenyl)methyl 3-methyl-2-naphthalen-2-ylbutanoate, 2-Naphthaleneacetic acid, alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-Phenoxyphenyl)methyl 3-methyl-2-(naphthalen-2-yl)butanoate
| Molecular Formula | C28H26O3 |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.1882 |
| Heavy Atoms | 31 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 112473-83-3 |
|---|---|
| SMILES | CC(C)C(C1=CC2=CC=CC=C2C=C1)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | ICAAMTJXEOELFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate (CAS 112473-83-3), with molecular formula C28H26O3 and molecular weight 410.19 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-naphthalen-2-ylbutanoate.
Chemical Property Profile of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate
Property Insights of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate
The XLogP value of 7.3 indicates that m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate 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 m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate?
The CAS number of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate is 112473-83-3.
What is the molecular formula of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate?
The molecular formula of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate is C28H26O3.
What is the molecular weight of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate?
The molecular weight of m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate is 410.19 g/mol.
Where can I buy m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate?
You can request a quote for m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate?
Yes, KEHONG BIO provides custom synthesis services for m-Phenoxybenzyl-alpha-isopropyl-2-naphthalinacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.