BAS 07093447
TL;DR: BAS 07093447 (CAS 304877-85-8) 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-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 07093447, AB00078644-01, AB00078644-03, 2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-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 | 798.6099 |
Chemical Identifiers
| CAS Number | 304877-85-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(F)(F)F)C(=O)C1 |
Product Overview
BAS 07093447 (CAS 304877-85-8), with molecular formula C17H13F3N2O2 and molecular weight 334.09 g/mol. IUPAC: 2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 07093447
Property Insights of BAS 07093447
The XLogP value of 3.52018 indicates that BAS 07093447 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 07093447. Following Lipinski's Rule of Five, BAS 07093447 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 07093447?
The CAS number of BAS 07093447 is 304877-85-8.
What is the molecular formula of BAS 07093447?
The molecular formula of BAS 07093447 is C17H13F3N2O2.
What is the molecular weight of BAS 07093447?
The molecular weight of BAS 07093447 is 334.09 g/mol.
Where can I buy BAS 07093447?
You can request a quote for BAS 07093447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07093447?
Yes, KEHONG BIO provides custom synthesis services for BAS 07093447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.