![2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid structure](/static/products/3099/309949-37-9.webp)
2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid
TL;DR: 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid (CAS 309949-37-9) is a chemical compound with molecular formula C24H16N4O3 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid, 2-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl]benzoic acid, 2-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid, 2-{5-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[3,2-b]pyridin-5-ylidene)meth yl]-2-furyl}benzoic acid
| Molecular Formula | C24H16N4O3 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 4.65338 |
| Topological Polar Surface Area | 136.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.12225 |
| Heavy Atoms | 31 |
| Complexity | 1411.5516 |
Chemical Identifiers
| CAS Number | 309949-37-9 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)O)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid (CAS 309949-37-9), with molecular formula C24H16N4O3 and molecular weight 408.12 g/mol. IUPAC: 2-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid
Property Insights of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid
The XLogP value of 4.65338 indicates that 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid. Following Lipinski's Rule of Five, 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}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 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid?
The CAS number of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid is 309949-37-9.
What is the molecular formula of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid?
The molecular formula of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid is C24H16N4O3.
What is the molecular weight of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid?
The molecular weight of 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid is 408.12 g/mol.
Where can I buy 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid?
You can request a quote for 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-furyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.