![(E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid structure](/static/products/578/578003-95-9.png)
(E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid
TL;DR: (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid (CAS 578003-95-9) is a chemical compound with molecular formula C22H17BrN4O4 and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid
Also Known As: (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid, 2-(4-{[(5E)-2-AMINO-3,7-DICYANO-4,6-DIMETHYL-5H-CYCLOPENTA[B]PYRIDIN-5-YLIDENE]METHYL}-2-BROMO-6-METHOXYPHENOXY)ACETIC ACID, 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid
| Molecular Formula | C22H17BrN4O4 |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 3.92968 |
| Topological Polar Surface Area | 142.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.04333 |
| Heavy Atoms | 31 |
| Complexity | 1265.9829 |
Chemical Identifiers
| CAS Number | 578003-95-9 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC(=C(C(=C3)Br)OCC(=O)O)OC)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
(E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid (CAS 578003-95-9), with molecular formula C22H17BrN4O4 and molecular weight 480.04 g/mol. IUPAC: 2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid.
Chemical Property Profile of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid
Property Insights of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid
The XLogP value of 3.92968 indicates that (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.25 Ų indicates high polarity, suggesting (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid has 2 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 (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid?
The CAS number of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid is 578003-95-9.
What is the molecular formula of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid?
The molecular formula of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid is C22H17BrN4O4.
What is the molecular weight of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid?
The molecular weight of (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid is 480.04 g/mol.
Where can I buy (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid?
You can request a quote for (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)-2-bromo-6-methoxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.