BAS 02589984
TL;DR: BAS 02589984 (CAS 302800-53-9) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 02589984, AB00075822-01, 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.1131 |
| Topological Polar Surface Area | 106.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1126.5427 |
Chemical Identifiers
| CAS Number | 302800-53-9 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4 |
Product Overview
BAS 02589984 (CAS 302800-53-9), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: 6-amino-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 02589984
Property Insights of BAS 02589984
The XLogP value of 3.1131 indicates that BAS 02589984 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02589984. Following Lipinski's Rule of Five, BAS 02589984 has 2 hydrogen bond donor(s) and 6 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 02589984?
The CAS number of BAS 02589984 is 302800-53-9.
What is the molecular formula of BAS 02589984?
The molecular formula of BAS 02589984 is C21H18N4O3.
What is the molecular weight of BAS 02589984?
The molecular weight of BAS 02589984 is 374.14 g/mol.
Where can I buy BAS 02589984?
You can request a quote for BAS 02589984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02589984?
Yes, KEHONG BIO provides custom synthesis services for BAS 02589984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.