BAS 09687620
TL;DR: BAS 09687620 (CAS 720671-43-2) is a chemical compound with molecular formula C18H14F3NO3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
Also Known As: BAS 09687620, 3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide, AF-399/42796700, D001-0023, 3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
| Molecular Formula | C18H14F3NO3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.8157 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0926 |
| Heavy Atoms | 25 |
| Complexity | 847.4551 |
Chemical Identifiers
| CAS Number | 720671-43-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 09687620 (CAS 720671-43-2), with molecular formula C18H14F3NO3 and molecular weight 349.09 g/mol. IUPAC: 3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide.
Chemical Property Profile of BAS 09687620
Property Insights of BAS 09687620
The XLogP value of 3.8157 indicates that BAS 09687620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 09687620 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09687620 has 1 hydrogen bond donor(s) and 3 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 09687620?
The CAS number of BAS 09687620 is 720671-43-2.
What is the molecular formula of BAS 09687620?
The molecular formula of BAS 09687620 is C18H14F3NO3.
What is the molecular weight of BAS 09687620?
The molecular weight of BAS 09687620 is 349.09 g/mol.
Where can I buy BAS 09687620?
You can request a quote for BAS 09687620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09687620?
Yes, KEHONG BIO provides custom synthesis services for BAS 09687620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.