BAS 00547866
TL;DR: BAS 00547866 (CAS 321372-42-3) is a chemical compound with molecular formula C26H18BrN5O and molecular weight 495.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
Also Known As: BAS 00547866, 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile, A1559/0067923, 5-amino-3-{2-[2-(benzyloxy)-5-bromophenyl]-1-cyanovinyl}-1-phenyl-1H-pyrazole-4-carbonitrile, 5-Amino-3-(2-(2-(benzyloxy)-5-bromophenyl)-1-cyanovinyl)-1-phenyl-1H-pyrazole-4-carbonitrile
| Molecular Formula | C26H18BrN5O |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 5.73186 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.06946 |
| Heavy Atoms | 33 |
| Complexity | 1396.6157 |
Chemical Identifiers
| CAS Number | 321372-42-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4 |
Product Overview
BAS 00547866 (CAS 321372-42-3), with molecular formula C26H18BrN5O and molecular weight 495.07 g/mol. IUPAC: 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00547866
Property Insights of BAS 00547866
The XLogP value of 5.73186 indicates that BAS 00547866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00547866. Following Lipinski's Rule of Five, BAS 00547866 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00547866?
The CAS number of BAS 00547866 is 321372-42-3.
What is the molecular formula of BAS 00547866?
The molecular formula of BAS 00547866 is C26H18BrN5O.
What is the molecular weight of BAS 00547866?
The molecular weight of BAS 00547866 is 495.07 g/mol.
Where can I buy BAS 00547866?
You can request a quote for BAS 00547866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00547866?
Yes, KEHONG BIO provides custom synthesis services for BAS 00547866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.