![(E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid structure](/static/products/677/677738-01-1.png)
(E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
TL;DR: (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 677738-01-1) is a chemical compound with molecular formula C27H20N4O3 and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-[(4-{[(5E)-2-AMINO-3,7-DICYANO-4,6-DIMETHYL-5H-CYCLOPENTA[B]PYRIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]BENZOIC ACID, 4-[[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C27H20N4O3 |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 4.97238 |
| Topological Polar Surface Area | 133.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.15353 |
| Heavy Atoms | 34 |
| Complexity | 1452.1855 |
Chemical Identifiers
| CAS Number | 677738-01-1 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
(E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid (CAS 677738-01-1), with molecular formula C27H20N4O3 and molecular weight 448.15 g/mol. IUPAC: 4-[[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
Property Insights of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
The XLogP value of 4.97238 indicates that (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid has 2 hydrogen bond donor(s) and 6 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)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The CAS number of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is 677738-01-1.
What is the molecular formula of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular formula of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is C27H20N4O3.
What is the molecular weight of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
The molecular weight of (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid is 448.15 g/mol.
Where can I buy (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
You can request a quote for (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-((2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl)phenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.