BAS 00758621
TL;DR: BAS 00758621 (CAS 315245-08-0) is a chemical compound with molecular formula C17H13F3N2O2 and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00758621, 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, J3.022.318G, AB00074072-01, 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C17H13F3N2O2 |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 3.52018 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.09293 |
| Heavy Atoms | 24 |
| Complexity | 815.8599 |
Chemical Identifiers
| CAS Number | 315245-08-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3C(F)(F)F)C(=O)C1 |
Product Overview
BAS 00758621 (CAS 315245-08-0), with molecular formula C17H13F3N2O2 and molecular weight 334.09 g/mol. IUPAC: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00758621
Property Insights of BAS 00758621
The XLogP value of 3.52018 indicates that BAS 00758621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758621. Following Lipinski's Rule of Five, BAS 00758621 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 00758621?
The CAS number of BAS 00758621 is 315245-08-0.
What is the molecular formula of BAS 00758621?
The molecular formula of BAS 00758621 is C17H13F3N2O2.
What is the molecular weight of BAS 00758621?
The molecular weight of BAS 00758621 is 334.09 g/mol.
Where can I buy BAS 00758621?
You can request a quote for BAS 00758621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758621?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.