BAS 00639152
TL;DR: BAS 00639152 (CAS 331856-32-7) is a chemical compound with molecular formula C17H15FN2O2 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639152, AB00078518-01, 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C17H15FN2O2 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 2.88648 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.11176 |
| Heavy Atoms | 22 |
| Complexity | 758.1676 |
Chemical Identifiers
| CAS Number | 331856-32-7 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)C1 |
Product Overview
BAS 00639152 (CAS 331856-32-7), with molecular formula C17H15FN2O2 and molecular weight 298.11 g/mol. IUPAC: 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639152
Property Insights of BAS 00639152
The XLogP value of 2.88648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00639152. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00639152. Following Lipinski's Rule of Five, BAS 00639152 has 1 hydrogen bond donor(s) and 4 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 00639152?
The CAS number of BAS 00639152 is 331856-32-7.
What is the molecular formula of BAS 00639152?
The molecular formula of BAS 00639152 is C17H15FN2O2.
What is the molecular weight of BAS 00639152?
The molecular weight of BAS 00639152 is 298.11 g/mol.
Where can I buy BAS 00639152?
You can request a quote for BAS 00639152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639152?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.