ChemDiv3_004512
TL;DR: ChemDiv3_004512 (CAS 445269-05-6) 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.
3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Also Known As: ChemDiv3_004512, IDI1_022422, 3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide, AM-807/13615898, BRD-A96518834-001-01-3
| Molecular Formula | C21H20F3N3OS |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.6645 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.12793 |
| Heavy Atoms | 29 |
| Complexity | 1090.7002 |
Chemical Identifiers
| CAS Number | 445269-05-6 |
|---|---|
| SMILES | CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4C(F)(F)F)N |
Product Overview
ChemDiv3_004512 (CAS 445269-05-6), with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol. IUPAC: 3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
Chemical Property Profile of ChemDiv3_004512
Property Insights of ChemDiv3_004512
The XLogP value of 5.6645 indicates that ChemDiv3_004512 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 ChemDiv3_004512. Following Lipinski's Rule of Five, ChemDiv3_004512 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 ChemDiv3_004512?
The CAS number of ChemDiv3_004512 is 445269-05-6.
What is the molecular formula of ChemDiv3_004512?
The molecular formula of ChemDiv3_004512 is C21H20F3N3OS.
What is the molecular weight of ChemDiv3_004512?
The molecular weight of ChemDiv3_004512 is 419.13 g/mol.
Where can I buy ChemDiv3_004512?
You can request a quote for ChemDiv3_004512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004512?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.