BAS 00866684
TL;DR: BAS 00866684 (CAS 300804-47-1) is a chemical compound with molecular formula C20H15N5O3 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00866684, J3.577.258H, 6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, A0167/0007511
| Molecular Formula | C20H15N5O3 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 3.3071 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.1175 |
| Heavy Atoms | 28 |
| Complexity | 1158.3295 |
Chemical Identifiers
| CAS Number | 300804-47-1 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 00866684 (CAS 300804-47-1), with molecular formula C20H15N5O3 and molecular weight 373.12 g/mol. IUPAC: 6-amino-3-methyl-4-(2-nitrophenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00866684
Property Insights of BAS 00866684
The XLogP value of 3.3071 indicates that BAS 00866684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866684. Following Lipinski's Rule of Five, BAS 00866684 has 1 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 00866684?
The CAS number of BAS 00866684 is 300804-47-1.
What is the molecular formula of BAS 00866684?
The molecular formula of BAS 00866684 is C20H15N5O3.
What is the molecular weight of BAS 00866684?
The molecular weight of BAS 00866684 is 373.12 g/mol.
Where can I buy BAS 00866684?
You can request a quote for BAS 00866684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866684?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.