BAS 00770537
TL;DR: BAS 00770537 (CAS 348628-91-1) is a chemical compound with molecular formula C25H19Cl2N7O and molecular weight 503.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00770537, A1797/0076045, 5-amino-3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-amino-3-{(Z)-1-cyano-2-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-1-CYANO-2-{1-[(2,4-DICHLOROPHENYL)METHYL]-3-PHENYL-1H-PYRAZOL-4-YL}ETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE
| Molecular Formula | C25H19Cl2N7O |
|---|---|
| Molecular Weight | 503.10 g/mol |
| LogP | 4.61206 |
| Topological Polar Surface Area | 129.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1028 |
| Heavy Atoms | 35 |
| Complexity | 1490.7284 |
Chemical Identifiers
| CAS Number | 348628-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NN(C(=C3C#N)N)CCO)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 00770537 (CAS 348628-91-1), with molecular formula C25H19Cl2N7O and molecular weight 503.10 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00770537
Property Insights of BAS 00770537
The XLogP value of 4.61206 indicates that BAS 00770537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00770537. Following Lipinski's Rule of Five, BAS 00770537 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00770537?
The CAS number of BAS 00770537 is 348628-91-1.
What is the molecular formula of BAS 00770537?
The molecular formula of BAS 00770537 is C25H19Cl2N7O.
What is the molecular weight of BAS 00770537?
The molecular weight of BAS 00770537 is 503.10 g/mol.
Where can I buy BAS 00770537?
You can request a quote for BAS 00770537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00770537?
Yes, KEHONG BIO provides custom synthesis services for BAS 00770537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.