Methyl 3,4-diiodothiophene-2-carboxylate
TL;DR: Methyl 3,4-diiodothiophene-2-carboxylate (CAS 24647-81-2) is a chemical compound with molecular formula C6H4I2O2S and molecular weight 393.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-diiodothiophene-2-carboxylate
Also Known As: methyl 3,4-diiodothiophene-2-carboxylate, AI-942/25034138
| Molecular Formula | C6H4I2O2S |
|---|---|
| Molecular Weight | 393.80 g/mol |
| LogP | 2.7439 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.80215 |
| Heavy Atoms | 11 |
| Complexity | 282.10968 |
Chemical Identifiers
| CAS Number | 24647-81-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CS1)I)I |
Product Overview
Methyl 3,4-diiodothiophene-2-carboxylate (CAS 24647-81-2), with molecular formula C6H4I2O2S and molecular weight 393.80 g/mol. IUPAC: methyl 3,4-diiodothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3,4-diiodothiophene-2-carboxylate
Property Insights of Methyl 3,4-diiodothiophene-2-carboxylate
The XLogP value of 2.7439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-diiodothiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,4-diiodothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-diiodothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 3,4-diiodothiophene-2-carboxylate?
The CAS number of Methyl 3,4-diiodothiophene-2-carboxylate is 24647-81-2.
What is the molecular formula of Methyl 3,4-diiodothiophene-2-carboxylate?
The molecular formula of Methyl 3,4-diiodothiophene-2-carboxylate is C6H4I2O2S.
What is the molecular weight of Methyl 3,4-diiodothiophene-2-carboxylate?
The molecular weight of Methyl 3,4-diiodothiophene-2-carboxylate is 393.80 g/mol.
Where can I buy Methyl 3,4-diiodothiophene-2-carboxylate?
You can request a quote for Methyl 3,4-diiodothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-diiodothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-diiodothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.