AH-487/37108021
TL;DR: AH-487/37108021 (CAS 419545-18-9) is a chemical compound with molecular formula C15H11BrN6O3 and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: AH-487/37108021, 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-amino-3-(2-{4-bromo-3-nitrophenyl}-1-cyanovinyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C15H11BrN6O3 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 2.06416 |
| Topological Polar Surface Area | 154.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0076 |
| Heavy Atoms | 25 |
| Complexity | 951.39703 |
Chemical Identifiers
| CAS Number | 419545-18-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)[N+](=O)[O-])Br |
Product Overview
AH-487/37108021 (CAS 419545-18-9), with molecular formula C15H11BrN6O3 and molecular weight 402.01 g/mol. IUPAC: 5-amino-3-[(Z)-2-(4-bromo-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of AH-487/37108021
Property Insights of AH-487/37108021
The XLogP value of 2.06416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/37108021. The TPSA of 154.79 Ų indicates high polarity, suggesting AH-487/37108021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AH-487/37108021 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 AH-487/37108021?
The CAS number of AH-487/37108021 is 419545-18-9.
What is the molecular formula of AH-487/37108021?
The molecular formula of AH-487/37108021 is C15H11BrN6O3.
What is the molecular weight of AH-487/37108021?
The molecular weight of AH-487/37108021 is 402.01 g/mol.
Where can I buy AH-487/37108021?
You can request a quote for AH-487/37108021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/37108021?
Yes, KEHONG BIO provides custom synthesis services for AH-487/37108021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.