2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid
TL;DR: 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid (CAS 138168-48-6) is a chemical compound with molecular formula C11H10INO6 and molecular weight 378.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid
Also Known As: Tyroserleutide, 2-[2-iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic Acid, 2-iodo-6-methoxy-4-[(1E)-2-nitroethenyl]phenoxyacetic acid
| Molecular Formula | C11H10INO6 |
|---|---|
| Molecular Weight | 378.96 g/mol |
| LogP | 2.0106 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.9553 |
| Heavy Atoms | 19 |
| Complexity | 528.16187 |
Chemical Identifiers
| CAS Number | 138168-48-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])I)OCC(=O)O |
Product Overview
2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid (CAS 138168-48-6), with molecular formula C11H10INO6 and molecular weight 378.96 g/mol. IUPAC: 2-[2-iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid.
Chemical Property Profile of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid
Property Insights of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid
The XLogP value of 2.0106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid has 1 hydrogen bond donor(s) and 5 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 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid?
The CAS number of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid is 138168-48-6.
What is the molecular formula of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid?
The molecular formula of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid is C11H10INO6.
What is the molecular weight of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid?
The molecular weight of 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid is 378.96 g/mol.
Where can I buy 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid?
You can request a quote for 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Iodo-6-methoxy-4-(2-nitroethenyl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.