CAS 796997-82-5 - C20H16F3N3O3S
TL;DR: CAS 796997-82-5 - C20H16F3N3O3S (CAS 796997-82-5) is a chemical compound with molecular formula C20H16F3N3O3S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]prop-2-en-1-one
Also Known As: 3-(3-nitrophenyl)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]prop-2-en-1-one
| Molecular Formula | C20H16F3N3O3S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 5.28 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.08646 |
| Heavy Atoms | 30 |
| Complexity | 1021.59656 |
Chemical Identifiers
| CAS Number | 796997-82-5 |
|---|---|
| SMILES | C1CN(C(=NC2=CC=CC(=C2)C(F)(F)F)SC1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CAS 796997-82-5 - C20H16F3N3O3S (CAS 796997-82-5), with molecular formula C20H16F3N3O3S and molecular weight 435.09 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]prop-2-en-1-one.
Chemical Property Profile of CAS 796997-82-5 - C20H16F3N3O3S
Property Insights of CAS 796997-82-5 - C20H16F3N3O3S
The XLogP value of 5.28 indicates that CAS 796997-82-5 - C20H16F3N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 796997-82-5 - C20H16F3N3O3S. Following Lipinski's Rule of Five, CAS 796997-82-5 - C20H16F3N3O3S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 796997-82-5 - C20H16F3N3O3S?
The CAS number of CAS 796997-82-5 - C20H16F3N3O3S is 796997-82-5.
What is the molecular formula of CAS 796997-82-5 - C20H16F3N3O3S?
The molecular formula of CAS 796997-82-5 - C20H16F3N3O3S is C20H16F3N3O3S.
What is the molecular weight of CAS 796997-82-5 - C20H16F3N3O3S?
The molecular weight of CAS 796997-82-5 - C20H16F3N3O3S is 435.09 g/mol.
Where can I buy CAS 796997-82-5 - C20H16F3N3O3S?
You can request a quote for CAS 796997-82-5 - C20H16F3N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 796997-82-5 - C20H16F3N3O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 796997-82-5 - C20H16F3N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.