2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate
TL;DR: 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate (CAS 649716-51-8) is a chemical compound with molecular formula C18H19IO3 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-ylphenyl) 3-iodo-4-methoxybenzoate
Also Known As: 2-sec-butylphenyl 3-iodo-4-methoxybenzoate, (2-butan-2-ylphenyl) 3-iodo-4-methoxybenzoate, 2-(butan-2-yl)phenyl 3-iodo-4-methoxybenzoate, 2-(methylpropyl)phenyl 3-iodo-4-methoxybenzoate, AB01328488-02
| Molecular Formula | C18H19IO3 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 5.0325 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0379 |
| Heavy Atoms | 22 |
| Complexity | 667.1319 |
Chemical Identifiers
| CAS Number | 649716-51-8 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)OC)I |
Product Overview
2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate (CAS 649716-51-8), with molecular formula C18H19IO3 and molecular weight 410.04 g/mol. IUPAC: (2-butan-2-ylphenyl) 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate
Property Insights of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate
The XLogP value of 5.0325 indicates that 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate 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 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate?
The CAS number of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate is 649716-51-8.
What is the molecular formula of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate?
The molecular formula of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate is C18H19IO3.
What is the molecular weight of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate?
The molecular weight of 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate is 410.04 g/mol.
Where can I buy 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate?
You can request a quote for 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylpropyl)phenyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.