BAS 00866694
TL;DR: BAS 00866694 (CAS 330209-34-2) is a chemical compound with molecular formula C20H13Cl2FN4O and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00866694, 6-amino-4-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[3,2- d]pyrazole-5-carbonitrile
| Molecular Formula | C20H13Cl2FN4O |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 4.8448 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.04504 |
| Heavy Atoms | 28 |
| Complexity | 1159.1842 |
Chemical Identifiers
| CAS Number | 330209-34-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=CC=C3Cl)F)C4=CC(=CC=C4)Cl |
Product Overview
BAS 00866694 (CAS 330209-34-2), with molecular formula C20H13Cl2FN4O and molecular weight 414.05 g/mol. IUPAC: 6-amino-4-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00866694
Property Insights of BAS 00866694
The XLogP value of 4.8448 indicates that BAS 00866694 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 00866694. Following Lipinski's Rule of Five, BAS 00866694 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 00866694?
The CAS number of BAS 00866694 is 330209-34-2.
What is the molecular formula of BAS 00866694?
The molecular formula of BAS 00866694 is C20H13Cl2FN4O.
What is the molecular weight of BAS 00866694?
The molecular weight of BAS 00866694 is 414.05 g/mol.
Where can I buy BAS 00866694?
You can request a quote for BAS 00866694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866694?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.