BAS 00779596
TL;DR: BAS 00779596 (CAS 305865-12-7) is a chemical compound with molecular formula C19H10ClFN2O3 and molecular weight 368.04 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)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: BAS 00779596, 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile, J3.481.183K, 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, AE-848/10142046
| Molecular Formula | C19H10ClFN2O3 |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.80368 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.0364 |
| Heavy Atoms | 26 |
| Complexity | 1173.339 |
Chemical Identifiers
| CAS Number | 305865-12-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)F)C(=O)O2 |
Product Overview
BAS 00779596 (CAS 305865-12-7), with molecular formula C19H10ClFN2O3 and molecular weight 368.04 g/mol. IUPAC: 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of BAS 00779596
Property Insights of BAS 00779596
The XLogP value of 3.80368 indicates that BAS 00779596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779596. Following Lipinski's Rule of Five, BAS 00779596 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 00779596?
The CAS number of BAS 00779596 is 305865-12-7.
What is the molecular formula of BAS 00779596?
The molecular formula of BAS 00779596 is C19H10ClFN2O3.
What is the molecular weight of BAS 00779596?
The molecular weight of BAS 00779596 is 368.04 g/mol.
Where can I buy BAS 00779596?
You can request a quote for BAS 00779596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779596?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.