BAS 00641242
TL;DR: BAS 00641242 (CAS 82805-69-4) is a chemical compound with molecular formula C20H15BrN4O and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(4-bromophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00641242, 6-amino-4-(4-bromophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, J1.821.176I, F0112-0025, A0258/0011690
| Molecular Formula | C20H15BrN4O |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.1614 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.0429 |
| Heavy Atoms | 26 |
| Complexity | 1045.9104 |
Chemical Identifiers
| CAS Number | 82805-69-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
BAS 00641242 (CAS 82805-69-4), with molecular formula C20H15BrN4O and molecular weight 406.04 g/mol. IUPAC: 6-amino-4-(4-bromophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00641242
Property Insights of BAS 00641242
The XLogP value of 4.1614 indicates that BAS 00641242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00641242. Following Lipinski's Rule of Five, BAS 00641242 has 1 hydrogen bond donor(s) and 4 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 00641242?
The CAS number of BAS 00641242 is 82805-69-4.
What is the molecular formula of BAS 00641242?
The molecular formula of BAS 00641242 is C20H15BrN4O.
What is the molecular weight of BAS 00641242?
The molecular weight of BAS 00641242 is 406.04 g/mol.
Where can I buy BAS 00641242?
You can request a quote for BAS 00641242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641242?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.