Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-
TL;DR: Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- (CAS 52833-76-8) is a chemical compound with molecular formula C20H12F3NS and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(trifluoromethyl)-20-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaene
Also Known As: Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-, 6,13-Dihydro-3-(trifluoromethyl)benzo(e)(1)benzothiopyrano(4,3-b)indole, 3-(Trifluoromethyl)-6,13-dihydrobenzo[e][1]benzothiopyrano[4,3-b]indole, Benzo[e][1]benzothiopyrano[4,3-b]indole, 6,13-dihydro-3-(trifluoromethyl)-
| Molecular Formula | C20H12F3NS |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.06427 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 52833-76-8 |
|---|---|
| SMILES | C1C2=C(C3=C(S1)C=C(C=C3)C(F)(F)F)NC4=C2C5=CC=CC=C5C=C4 |
| InChIKey | HCPVTZCUIZXFLA-UHFFFAOYSA-N |
Product Overview
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- (CAS 52833-76-8), with molecular formula C20H12F3NS and molecular weight 355.06 g/mol. IUPAC: 17-(trifluoromethyl)-20-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaene.
Chemical Property Profile of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-
Property Insights of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-
The XLogP value of 5.9 indicates that Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-?
The CAS number of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- is 52833-76-8.
What is the molecular formula of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-?
The molecular formula of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- is C20H12F3NS.
What is the molecular weight of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-?
The molecular weight of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- is 355.06 g/mol.
Where can I buy Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-?
You can request a quote for Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.