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Methyl 3-[(4-isopropylphenoxy)methyl]benzoate
TL;DR: Methyl 3-[(4-isopropylphenoxy)methyl]benzoate (CAS 438464-21-2) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-propan-2-ylphenoxy)methyl]benzoate
Also Known As: METHYL 3-[(4-ISOPROPYLPHENOXY)METHYL]BENZOATE, Methyl 3-((4-isopropylphenoxy)methyl)benzoate, Methyl 3-[(4-propan-2-ylphenoxy)methyl]benzoate, methyl 3-{[4-(methylethyl)phenoxy]methyl}benzoate, METHYL 3-(4-ISOPROPYLPHENOXYMETHYL)BENZOATE
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.1756 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 600.1154 |
Chemical Identifiers
| CAS Number | 438464-21-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=O)OC |
Product Overview
Methyl 3-[(4-isopropylphenoxy)methyl]benzoate (CAS 438464-21-2), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: methyl 3-[(4-propan-2-ylphenoxy)methyl]benzoate.
Chemical Property Profile of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate
Property Insights of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate
The XLogP value of 4.1756 indicates that Methyl 3-[(4-isopropylphenoxy)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-[(4-isopropylphenoxy)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(4-isopropylphenoxy)methyl]benzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-[(4-isopropylphenoxy)methyl]benzoate?
The CAS number of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate is 438464-21-2.
What is the molecular formula of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate?
The molecular formula of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate is C18H20O3.
What is the molecular weight of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate?
The molecular weight of Methyl 3-[(4-isopropylphenoxy)methyl]benzoate is 284.14 g/mol.
Where can I buy Methyl 3-[(4-isopropylphenoxy)methyl]benzoate?
You can request a quote for Methyl 3-[(4-isopropylphenoxy)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-isopropylphenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-isopropylphenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.