BAS 00583474
TL;DR: BAS 00583474 (CAS 5844-03-1) is a chemical compound with molecular formula C17H16BrN5O3 and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00583474, 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, A1552/0067567, 5-AMINO-3-[(1Z)-2-(3-BROMO-4,5-DIMETHOXYPHENYL)-1-CYANOETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE, 5-Amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethen-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C17H16BrN5O3 |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 2.17316 |
| Topological Polar Surface Area | 130.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.04364 |
| Heavy Atoms | 26 |
| Complexity | 937.3408 |
Chemical Identifiers
| CAS Number | 5844-03-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)Br)OC |
Product Overview
BAS 00583474 (CAS 5844-03-1), with molecular formula C17H16BrN5O3 and molecular weight 417.04 g/mol. IUPAC: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00583474
Property Insights of BAS 00583474
The XLogP value of 2.17316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00583474. The TPSA of 130.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00583474. Following Lipinski's Rule of Five, BAS 00583474 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 BAS 00583474?
The CAS number of BAS 00583474 is 5844-03-1.
What is the molecular formula of BAS 00583474?
The molecular formula of BAS 00583474 is C17H16BrN5O3.
What is the molecular weight of BAS 00583474?
The molecular weight of BAS 00583474 is 417.04 g/mol.
Where can I buy BAS 00583474?
You can request a quote for BAS 00583474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00583474?
Yes, KEHONG BIO provides custom synthesis services for BAS 00583474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.