BAS 00653049
TL;DR: BAS 00653049 (CAS 321372-54-7) is a chemical compound with molecular formula C30H27ClN6O and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-[2-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
Also Known As: BAS 00653049, A1566/0068275, 5-amino-3-[(Z)-2-[2-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile, 5-amino-3-{2-[2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl]-1-cyanovinyl}-1-phenyl-1H-pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-2-{2-[(4-CHLOROPHENYL)METHOXY]-4-(DIETHYLAMINO)PHENYL}-1-CYANOETH-1-EN-1-YL]-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
| Molecular Formula | C30H27ClN6O |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 6.46896 |
| Topological Polar Surface Area | 103.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.1935 |
| Heavy Atoms | 38 |
| Complexity | 1524.1992 |
Chemical Identifiers
| CAS Number | 321372-54-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCC4=CC=C(C=C4)Cl |
Product Overview
BAS 00653049 (CAS 321372-54-7), with molecular formula C30H27ClN6O and molecular weight 522.19 g/mol. IUPAC: 5-amino-3-[(Z)-2-[2-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00653049
Property Insights of BAS 00653049
The XLogP value of 6.46896 indicates that BAS 00653049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00653049. Following Lipinski's Rule of Five, BAS 00653049 has 1 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 00653049?
The CAS number of BAS 00653049 is 321372-54-7.
What is the molecular formula of BAS 00653049?
The molecular formula of BAS 00653049 is C30H27ClN6O.
What is the molecular weight of BAS 00653049?
The molecular weight of BAS 00653049 is 522.19 g/mol.
Where can I buy BAS 00653049?
You can request a quote for BAS 00653049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00653049?
Yes, KEHONG BIO provides custom synthesis services for BAS 00653049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.