J3.621.535F
TL;DR: J3.621.535F (CAS 313379-74-7) is a chemical compound with molecular formula C20H18F3N3OS and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-[3-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: J3.621.535F, 3-amino-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, A0370/0017046, 3-amino-N-(3-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 6-Amino-N-[3-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
| Molecular Formula | C20H18F3N3OS |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 5.4185 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.11227 |
| Heavy Atoms | 28 |
| Complexity | 1058.7659 |
Chemical Identifiers
| CAS Number | 313379-74-7 |
|---|---|
| SMILES | C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
J3.621.535F (CAS 313379-74-7), with molecular formula C20H18F3N3OS and molecular weight 405.11 g/mol. IUPAC: 6-amino-N-[3-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of J3.621.535F
Property Insights of J3.621.535F
The XLogP value of 5.4185 indicates that J3.621.535F 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 J3.621.535F. Following Lipinski's Rule of Five, J3.621.535F 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 J3.621.535F?
The CAS number of J3.621.535F is 313379-74-7.
What is the molecular formula of J3.621.535F?
The molecular formula of J3.621.535F is C20H18F3N3OS.
What is the molecular weight of J3.621.535F?
The molecular weight of J3.621.535F is 405.11 g/mol.
Where can I buy J3.621.535F?
You can request a quote for J3.621.535F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.621.535F?
Yes, KEHONG BIO provides custom synthesis services for J3.621.535F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.