![[3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone structure](/static/products/4449/444923-29-9.webp)
[3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone
TL;DR: [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone (CAS 444923-29-9) is a chemical compound with molecular formula C23H13F5N2OS and molecular weight 460.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-amino-17-(trifluoromethyl)-14-thia-16-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-13-yl]-(2,4-difluorophenyl)methanone
Also Known As: [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone, (3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl)(2,4-difluorophenyl)methanone, [12-amino-17-(trifluoromethyl)-14-thia-16-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-13-yl]-(2,4-difluorophenyl)methanone
| Molecular Formula | C23H13F5N2OS |
|---|---|
| Molecular Weight | 460.07 g/mol |
| LogP | 6.1721 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.06686 |
| Heavy Atoms | 32 |
| Complexity | 1424.4122 |
Chemical Identifiers
| CAS Number | 444923-29-9 |
|---|---|
| SMILES | C1CC2=C3C(=C(SC3=NC(=C2C4=CC=CC=C41)C(F)(F)F)C(=O)C5=C(C=C(C=C5)F)F)N |
Product Overview
[3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone (CAS 444923-29-9), with molecular formula C23H13F5N2OS and molecular weight 460.07 g/mol. IUPAC: [12-amino-17-(trifluoromethyl)-14-thia-16-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-13-yl]-(2,4-difluorophenyl)methanone.
Chemical Property Profile of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone
Property Insights of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone
The XLogP value of 6.1721 indicates that [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone 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 [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone?
The CAS number of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone is 444923-29-9.
What is the molecular formula of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone?
The molecular formula of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone is C23H13F5N2OS.
What is the molecular weight of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone?
The molecular weight of [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone is 460.07 g/mol.
Where can I buy [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone?
You can request a quote for [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-amino-10-(trifluoromethyl)-4,5-dihydrobenzo[h]thieno[2,3-c]isoquinolin-2-yl](2,4-difluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.