A2788/0117816
TL;DR: A2788/0117816 (CAS 442658-33-5) is a chemical compound with molecular formula C19H13F3N2O4S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: A2788/0117816, 2-(1,1-Dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)-N-(4-(trifluoromethoxy)phenyl)acetamide, 2-(1,1-dioxido-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-(1,1-DIOXIDO-2H-NAPHTHO[1,8-CD]ISOTHIAZOL-2-YL)-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
| Molecular Formula | C19H13F3N2O4S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 3.8858 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0548 |
| Heavy Atoms | 29 |
| Complexity | 1203.0966 |
Chemical Identifiers
| CAS Number | 442658-33-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC(=O)NC4=CC=C(C=C4)OC(F)(F)F |
Product Overview
A2788/0117816 (CAS 442658-33-5), with molecular formula C19H13F3N2O4S and molecular weight 422.05 g/mol. IUPAC: 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of A2788/0117816
Property Insights of A2788/0117816
The XLogP value of 3.8858 indicates that A2788/0117816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A2788/0117816. Following Lipinski's Rule of Five, A2788/0117816 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 A2788/0117816?
The CAS number of A2788/0117816 is 442658-33-5.
What is the molecular formula of A2788/0117816?
The molecular formula of A2788/0117816 is C19H13F3N2O4S.
What is the molecular weight of A2788/0117816?
The molecular weight of A2788/0117816 is 422.05 g/mol.
Where can I buy A2788/0117816?
You can request a quote for A2788/0117816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2788/0117816?
Yes, KEHONG BIO provides custom synthesis services for A2788/0117816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.