![dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate structure](/static/products/6452/64521-01-3.webp)
dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
TL;DR: dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 64521-01-3) is a chemical compound with molecular formula C28H34IO13P and molecular weight 736.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
Also Known As: dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate, Dimethyl {2-[6-(diethoxyphosphoryl)-2H-1,3-benzodioxol-5-yl]-2-oxoethyl}[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
| Molecular Formula | C28H34IO13P |
|---|---|
| Molecular Weight | 736.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 736.0782 |
| Heavy Atoms | 43 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 64521-01-3 |
|---|---|
| SMILES | CCOP(=O)(C1=CC2=C(C=C1C(=O)CC(CC3=CC(=C(C(=C3I)OC)OC)OC)(C(=O)OC)C(=O)OC)OCO2)OCC |
| InChIKey | UJWHRMAXNMUARA-UHFFFAOYSA-N |
Product Overview
dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 64521-01-3), with molecular formula C28H34IO13P and molecular weight 736.08 g/mol. IUPAC: dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate.
Chemical Property Profile of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
Property Insights of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
The XLogP value of 3.5 indicates that dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The CAS number of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is 64521-01-3.
What is the molecular formula of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular formula of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is C28H34IO13P.
What is the molecular weight of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular weight of dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is 736.08 g/mol.
Where can I buy dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
You can request a quote for dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]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-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[2-(6-diethoxyphosphoryl-1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.