BAS 00866722
TL;DR: BAS 00866722 (CAS 220986-40-3) is a chemical compound with molecular formula C16H10Cl2N2O3 and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: BAS 00866722, J3.466.573G, 2-Amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, AB00074106-01
| Molecular Formula | C16H10Cl2N2O3 |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.00684 |
| Heavy Atoms | 23 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 220986-40-3 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C(=O)O1 |
| InChIKey | PDFRDMWUCOVRCW-UHFFFAOYSA-N |
Product Overview
BAS 00866722 (CAS 220986-40-3), with molecular formula C16H10Cl2N2O3 and molecular weight 348.01 g/mol. IUPAC: 2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of BAS 00866722
Property Insights of BAS 00866722
The XLogP value of 3.5 indicates that BAS 00866722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866722. Following Lipinski's Rule of Five, BAS 00866722 has 1 hydrogen bond donor(s) and 5 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 00866722?
The CAS number of BAS 00866722 is 220986-40-3.
What is the molecular formula of BAS 00866722?
The molecular formula of BAS 00866722 is C16H10Cl2N2O3.
What is the molecular weight of BAS 00866722?
The molecular weight of BAS 00866722 is 348.01 g/mol.
Where can I buy BAS 00866722?
You can request a quote for BAS 00866722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866722?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.