Dimethyl iodoterephthalate
TL;DR: Dimethyl iodoterephthalate (CAS 81565-18-6) is a chemical compound with molecular formula C10H9IO4 and molecular weight 319.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-iodobenzene-1,4-dicarboxylate
Also Known As: Dimethyl iodoterephthalate, dimethyl 2-iodoterephthalate, dimethyl 2-iodobenzene-1,4-dicarboxylate, DIMETHYLIODOTEREPHTHALATE, 2-Iodo-terephthalic acid dimethyl ester
| Molecular Formula | C10H9IO4 |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.95456 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 81565-18-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)I |
| InChIKey | GJVIVAYVYHUGOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl iodoterephthalate (CAS 81565-18-6), with molecular formula C10H9IO4 and molecular weight 319.95 g/mol. IUPAC: dimethyl 2-iodobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl iodoterephthalate
Property Insights of Dimethyl iodoterephthalate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl iodoterephthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl iodoterephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl iodoterephthalate 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 iodoterephthalate?
The CAS number of Dimethyl iodoterephthalate is 81565-18-6.
What is the molecular formula of Dimethyl iodoterephthalate?
The molecular formula of Dimethyl iodoterephthalate is C10H9IO4.
What is the molecular weight of Dimethyl iodoterephthalate?
The molecular weight of Dimethyl iodoterephthalate is 319.95 g/mol.
Where can I buy Dimethyl iodoterephthalate?
You can request a quote for Dimethyl iodoterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl iodoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl iodoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.