(3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate
TL;DR: (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate (CAS 112473-94-6) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate
Also Known As: (3-phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate, (3-phenoxyphenyl)methyl 3-methyl-2-propoxy-butanoate, Butanoic acid, 3-methyl-2-propoxy-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 112473-94-6 |
|---|---|
| SMILES | CCCOC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | DVNCXHACTXABAK-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate (CAS 112473-94-6), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate
Property Insights of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate
The XLogP value of 5.3 indicates that (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate is 112473-94-6.
What is the molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate is C21H26O4.
What is the molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate is 342.18 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 3-methyl-2-propoxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.