2-Acetylphenyl 3-iodo-4-methoxybenzoate
TL;DR: 2-Acetylphenyl 3-iodo-4-methoxybenzoate (CAS 101273-40-9) is a chemical compound with molecular formula C16H13IO4 and molecular weight 395.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) 3-iodo-4-methoxybenzoate
Also Known As: 2-acetylphenyl 3-iodo-4-methoxybenzoate, 2-(3-Jod-anisoyloxy)-acetophenon, (2-acetylphenyl) 3-iodo-4-methoxybenzoate
| Molecular Formula | C16H13IO4 |
|---|---|
| Molecular Weight | 395.99 g/mol |
| LogP | 3.7216 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.98587 |
| Heavy Atoms | 21 |
| Complexity | 694.4264 |
Chemical Identifiers
| CAS Number | 101273-40-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)OC)I |
Product Overview
2-Acetylphenyl 3-iodo-4-methoxybenzoate (CAS 101273-40-9), with molecular formula C16H13IO4 and molecular weight 395.99 g/mol. IUPAC: (2-acetylphenyl) 3-iodo-4-methoxybenzoate.
Chemical Property Profile of 2-Acetylphenyl 3-iodo-4-methoxybenzoate
Property Insights of 2-Acetylphenyl 3-iodo-4-methoxybenzoate
The XLogP value of 3.7216 indicates that 2-Acetylphenyl 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 52.6 Ų, 2-Acetylphenyl 3-iodo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylphenyl 3-iodo-4-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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-Acetylphenyl 3-iodo-4-methoxybenzoate?
The CAS number of 2-Acetylphenyl 3-iodo-4-methoxybenzoate is 101273-40-9.
What is the molecular formula of 2-Acetylphenyl 3-iodo-4-methoxybenzoate?
The molecular formula of 2-Acetylphenyl 3-iodo-4-methoxybenzoate is C16H13IO4.
What is the molecular weight of 2-Acetylphenyl 3-iodo-4-methoxybenzoate?
The molecular weight of 2-Acetylphenyl 3-iodo-4-methoxybenzoate is 395.99 g/mol.
Where can I buy 2-Acetylphenyl 3-iodo-4-methoxybenzoate?
You can request a quote for 2-Acetylphenyl 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-Acetylphenyl 3-iodo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenyl 3-iodo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.