2-Acetylphenyl 3-iodo-4-methylbenzoate
TL;DR: 2-Acetylphenyl 3-iodo-4-methylbenzoate (CAS 511516-81-7) is a chemical compound with molecular formula C16H13IO3 and molecular weight 379.99094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-acetylphenyl) 3-iodo-4-methylbenzoate
Also Known As: 2-acetylphenyl 3-iodo-4-methylbenzoate, (2-acetylphenyl) 3-iodo-4-methylbenzoate
Technical Specifications
| Molecular Formula | C16H13IO3 |
| Molecular Weight | 379.99094 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.99094 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C)I |
| InChIKey | JVLBKHCDMPJJSC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Acetylphenyl 3-iodo-4-methylbenzoate
Property Insights of 2-Acetylphenyl 3-iodo-4-methylbenzoate
The XLogP value of 4.0 indicates that 2-Acetylphenyl 3-iodo-4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetylphenyl 3-iodo-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylphenyl 3-iodo-4-methylbenzoate 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
What is the CAS number of 2-Acetylphenyl 3-iodo-4-methylbenzoate?
The CAS number of 2-Acetylphenyl 3-iodo-4-methylbenzoate is 511516-81-7.
What is the molecular formula of 2-Acetylphenyl 3-iodo-4-methylbenzoate?
The molecular formula of 2-Acetylphenyl 3-iodo-4-methylbenzoate is C16H13IO3.
What is the molecular weight of 2-Acetylphenyl 3-iodo-4-methylbenzoate?
The molecular weight of 2-Acetylphenyl 3-iodo-4-methylbenzoate is 379.99094 g/mol.
Where can I buy 2-Acetylphenyl 3-iodo-4-methylbenzoate?
You can request a quote for 2-Acetylphenyl 3-iodo-4-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetylphenyl 3-iodo-4-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Acetylphenyl 3-iodo-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.