(2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate
TL;DR: (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate (CAS 649716-93-8) is a chemical compound with molecular formula C17H17IO3 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-ylphenyl) 3-iodo-4-methoxybenzoate
Also Known As: 2-isopropylphenyl 3-iodo-4-methoxybenzoate, (2-propan-2-ylphenyl) 3-iodo-4-methoxybenzoate, (2-propan-2-ylphenyl) 3-iodo-4-methoxy-benzoate
| Molecular Formula | C17H17IO3 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 4.6424 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.02225 |
| Heavy Atoms | 21 |
| Complexity | 650.2335 |
Chemical Identifiers
| CAS Number | 649716-93-8 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)OC)I |
Product Overview
(2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate (CAS 649716-93-8), with molecular formula C17H17IO3 and molecular weight 396.02 g/mol. IUPAC: (2-propan-2-ylphenyl) 3-iodo-4-methoxybenzoate.
Chemical Property Profile of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate
Property Insights of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate
The XLogP value of 4.6424 indicates that (2-Propan-2-ylphenyl) 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-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate 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 (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate?
The CAS number of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate is 649716-93-8.
What is the molecular formula of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate?
The molecular formula of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate is C17H17IO3.
What is the molecular weight of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate?
The molecular weight of (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate is 396.02 g/mol.
Where can I buy (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate?
You can request a quote for (2-Propan-2-ylphenyl) 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-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Propan-2-ylphenyl) 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.