![3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide structure](/static/products/4453/445384-39-4.webp)
3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
TL;DR: 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 445384-39-4) is a chemical compound with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-[2-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide, AM-807/14957245, 6-Amino-N-[2-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide, 3-Amino-N-(2-(trifluoromethyl)phenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide, 6-amino-N-[2-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
| Molecular Formula | C21H20F3N3OS |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.8086 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.12793 |
| Heavy Atoms | 29 |
| Complexity | 1074.954 |
Chemical Identifiers
| CAS Number | 445384-39-4 |
|---|---|
| SMILES | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4C(F)(F)F)N |
Product Overview
3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 445384-39-4), with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol. IUPAC: 6-amino-N-[2-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
Property Insights of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
The XLogP value of 5.8086 indicates that 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide. Following Lipinski's Rule of Five, 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide has 2 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 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide?
The CAS number of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is 445384-39-4.
What is the molecular formula of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide?
The molecular formula of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is C21H20F3N3OS.
What is the molecular weight of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide?
The molecular weight of 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide is 419.13 g/mol.
Where can I buy 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide?
You can request a quote for 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.