![3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid structure](/static/products/6584/6584-10-7.webp)
3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid
TL;DR: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid (CAS 6584-10-7) is a chemical compound with molecular formula C26H21IN2O5 and molecular weight 568.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
Also Known As: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid, 3-(2-Cyano-3-{3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}prop-2-enamido)benzoic acid
| Molecular Formula | C26H21IN2O5 |
|---|---|
| Molecular Weight | 568.05 g/mol |
| LogP | 5.4311 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.0495 |
| Heavy Atoms | 34 |
| Complexity | 1310.7834 |
Chemical Identifiers
| CAS Number | 6584-10-7 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2I)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC |
Product Overview
3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid (CAS 6584-10-7), with molecular formula C26H21IN2O5 and molecular weight 568.05 g/mol. IUPAC: 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid
Property Insights of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid
The XLogP value of 5.4311 indicates that 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid. Following Lipinski's Rule of Five, 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid?
The CAS number of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid is 6584-10-7.
What is the molecular formula of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid?
The molecular formula of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid is C26H21IN2O5.
What is the molecular weight of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid?
The molecular weight of 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid is 568.05 g/mol.
Where can I buy 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid?
You can request a quote for 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-cyano-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.