Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate
TL;DR: Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate (CAS 7237-29-8) is a chemical compound with molecular formula C16H17IO4 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2-iodoethenyl)-2-(3-phenylprop-2-enyl)propanedioate
Also Known As: Dimethyl 2-cinnamyl-2-(2-iodoethenyl)propanedioate, dimethyl 2-(2-iodoethenyl)-2-(3-phenylprop-2-enyl)propanedioate, DIMETHYL 2-CINNAMYL-2-(2-IODOVINYL)PROPANEDIOATE, Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate, Dimethyl (2-iodoethen-1-yl)(3-phenylprop-2-en-1-yl)propanedioate
| Molecular Formula | C16H17IO4 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 3.371 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.01715 |
| Heavy Atoms | 21 |
| Complexity | 518.4678 |
Chemical Identifiers
| CAS Number | 7237-29-8 |
|---|---|
| SMILES | COC(=O)C(CC=CC1=CC=CC=C1)(C=CI)C(=O)OC |
Product Overview
Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate (CAS 7237-29-8), with molecular formula C16H17IO4 and molecular weight 400.02 g/mol. IUPAC: dimethyl 2-(2-iodoethenyl)-2-(3-phenylprop-2-enyl)propanedioate.
Chemical Property Profile of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate
Property Insights of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate
The XLogP value of 3.371 indicates that Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate 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 Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate?
The CAS number of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate is 7237-29-8.
What is the molecular formula of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate?
The molecular formula of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate is C16H17IO4.
What is the molecular weight of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate?
The molecular weight of Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate is 400.02 g/mol.
Where can I buy Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate?
You can request a quote for Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2-iodoethenyl)(3-phenylprop-2-en-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.