![Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate structure](/static/products/6449/64490-59-1.webp)
Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
TL;DR: Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 64490-59-1) is a chemical compound with molecular formula C15H19IO7 and molecular weight 438.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
Also Known As: dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate, Dimethyl [(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate, Dimethyl 2-[(2-iodo-3,4,5-trimethoxy-phenyl)methyl]propanedioate
| Molecular Formula | C15H19IO7 |
|---|---|
| Molecular Weight | 438.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.01755 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 64490-59-1 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)CC(C(=O)OC)C(=O)OC)I)OC)OC |
| InChIKey | FQQNIQZWNCIDFR-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 64490-59-1), with molecular formula C15H19IO7 and molecular weight 438.02 g/mol. IUPAC: dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate.
Chemical Property Profile of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
Property Insights of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate has 0 hydrogen bond donor(s) and 7 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-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The CAS number of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is 64490-59-1.
What is the molecular formula of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular formula of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is C15H19IO7.
What is the molecular weight of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular weight of Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate is 438.02 g/mol.
Where can I buy Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
You can request a quote for Dimethyl 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-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.