ChemDiv1_020778
TL;DR: ChemDiv1_020778 (CAS 330158-93-5) is a chemical compound with molecular formula C21H14F3N3O2 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-amino-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-b]indole-3-carbonitrile
Also Known As: ChemDiv1_020778, AM-807/12739118, 5-acetyl-2-amino-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyrano[3,2-b]indole-3-carbonitrile, 5-acetyl-2-amino-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-b]indole-3-carbonitrile, 5-acetyl-2-amino-4-(2-(trifluoromethyl)phenyl)-4,5-dihydropyrano[3,2-b]indole-3-carbonitrile
| Molecular Formula | C21H14F3N3O2 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 4.53838 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.10382 |
| Heavy Atoms | 29 |
| Complexity | 1232.1776 |
Chemical Identifiers
| CAS Number | 330158-93-5 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C3=C1C(C(=C(O3)N)C#N)C4=CC=CC=C4C(F)(F)F |
Product Overview
ChemDiv1_020778 (CAS 330158-93-5), with molecular formula C21H14F3N3O2 and molecular weight 397.10 g/mol. IUPAC: 5-acetyl-2-amino-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-b]indole-3-carbonitrile.
Chemical Property Profile of ChemDiv1_020778
Property Insights of ChemDiv1_020778
The XLogP value of 4.53838 indicates that ChemDiv1_020778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020778. Following Lipinski's Rule of Five, ChemDiv1_020778 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 ChemDiv1_020778?
The CAS number of ChemDiv1_020778 is 330158-93-5.
What is the molecular formula of ChemDiv1_020778?
The molecular formula of ChemDiv1_020778 is C21H14F3N3O2.
What is the molecular weight of ChemDiv1_020778?
The molecular weight of ChemDiv1_020778 is 397.10 g/mol.
Where can I buy ChemDiv1_020778?
You can request a quote for ChemDiv1_020778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020778?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.