RefChem:296739
TL;DR: RefChem:296739 (CAS 220986-38-9) is a chemical compound with molecular formula C16H10ClFN2O3 and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, BAS 00898983, 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, AE-848/10130055, 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
| Molecular Formula | C16H10ClFN2O3 |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 2.9589 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.0364 |
| Heavy Atoms | 23 |
| Complexity | 923.06714 |
Chemical Identifiers
| CAS Number | 220986-38-9 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC=C3Cl)F)C(=O)O1 |
Product Overview
RefChem:296739 (CAS 220986-38-9), with molecular formula C16H10ClFN2O3 and molecular weight 332.04 g/mol. IUPAC: 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of RefChem:296739
Property Insights of RefChem:296739
The XLogP value of 2.9589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296739. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296739. Following Lipinski's Rule of Five, RefChem:296739 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 RefChem:296739?
The CAS number of RefChem:296739 is 220986-38-9.
What is the molecular formula of RefChem:296739?
The molecular formula of RefChem:296739 is C16H10ClFN2O3.
What is the molecular weight of RefChem:296739?
The molecular weight of RefChem:296739 is 332.04 g/mol.
Where can I buy RefChem:296739?
You can request a quote for RefChem:296739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.