BAS 00666588
TL;DR: BAS 00666588 (CAS 220986-34-5) is a chemical compound with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: BAS 00666588, 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, J3.466.572I, 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, AB00074102-01
| Molecular Formula | C16H11ClN2O3 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.8198 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0458 |
| Heavy Atoms | 22 |
| Complexity | 892.99445 |
Chemical Identifiers
| CAS Number | 220986-34-5 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)O1 |
Product Overview
BAS 00666588 (CAS 220986-34-5), with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol. IUPAC: 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of BAS 00666588
Property Insights of BAS 00666588
The XLogP value of 2.8198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00666588. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666588. Following Lipinski's Rule of Five, BAS 00666588 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 00666588?
The CAS number of BAS 00666588 is 220986-34-5.
What is the molecular formula of BAS 00666588?
The molecular formula of BAS 00666588 is C16H11ClN2O3.
What is the molecular weight of BAS 00666588?
The molecular weight of BAS 00666588 is 314.05 g/mol.
Where can I buy BAS 00666588?
You can request a quote for BAS 00666588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666588?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.