Methyl 2-(cinnamoyloxy)-5-iodobenzoate
TL;DR: Methyl 2-(cinnamoyloxy)-5-iodobenzoate (CAS 307952-85-8) is a chemical compound with molecular formula C17H13IO4 and molecular weight 407.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-iodo-2-(3-phenylprop-2-enoyloxy)benzoate
Also Known As: METHYL 2-(CINNAMOYLOXY)-5-IODOBENZOATE, methyl 2-(cinnamoyloxy)-5-iodobenzenecarboxylate, methyl 5-iodo-2-(3-phenylprop-2-enoyloxy)benzoate, Methyl 5-iodo-2-[(3-phenylprop-2-enoyl)oxy]benzoate, 654-723-7
| Molecular Formula | C17H13IO4 |
|---|---|
| Molecular Weight | 407.99 g/mol |
| LogP | 3.6966 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.98587 |
| Heavy Atoms | 22 |
| Complexity | 707.8538 |
Chemical Identifiers
| CAS Number | 307952-85-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)I)OC(=O)C=CC2=CC=CC=C2 |
Product Overview
Methyl 2-(cinnamoyloxy)-5-iodobenzoate (CAS 307952-85-8), with molecular formula C17H13IO4 and molecular weight 407.99 g/mol. IUPAC: methyl 5-iodo-2-(3-phenylprop-2-enoyloxy)benzoate.
Chemical Property Profile of Methyl 2-(cinnamoyloxy)-5-iodobenzoate
Property Insights of Methyl 2-(cinnamoyloxy)-5-iodobenzoate
The XLogP value of 3.6966 indicates that Methyl 2-(cinnamoyloxy)-5-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-(cinnamoyloxy)-5-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(cinnamoyloxy)-5-iodobenzoate 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 Methyl 2-(cinnamoyloxy)-5-iodobenzoate?
The CAS number of Methyl 2-(cinnamoyloxy)-5-iodobenzoate is 307952-85-8.
What is the molecular formula of Methyl 2-(cinnamoyloxy)-5-iodobenzoate?
The molecular formula of Methyl 2-(cinnamoyloxy)-5-iodobenzoate is C17H13IO4.
What is the molecular weight of Methyl 2-(cinnamoyloxy)-5-iodobenzoate?
The molecular weight of Methyl 2-(cinnamoyloxy)-5-iodobenzoate is 407.99 g/mol.
Where can I buy Methyl 2-(cinnamoyloxy)-5-iodobenzoate?
You can request a quote for Methyl 2-(cinnamoyloxy)-5-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(cinnamoyloxy)-5-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(cinnamoyloxy)-5-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.