3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
TL;DR: 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione (CAS 577990-53-5) is a chemical compound with molecular formula C26H24F3N3O2S and molecular weight 499.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
Also Known As: 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione, 3-(1,3-benzothiazol-2-ylamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione, 3-(benzo[d]thiazol-2-ylamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indole-2,4(3H,5H)-dione
| Molecular Formula | C26H24F3N3O2S |
|---|---|
| Molecular Weight | 499.15 g/mol |
| LogP | 6.31614 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.15414 |
| Heavy Atoms | 35 |
| Complexity | 1389.708 |
Chemical Identifiers
| CAS Number | 577990-53-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)NC4=NC5=CC=CC=C5S4)C |
Product Overview
3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione (CAS 577990-53-5), with molecular formula C26H24F3N3O2S and molecular weight 499.15 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.
Chemical Property Profile of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Property Insights of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
The XLogP value of 6.31614 indicates that 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The CAS number of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is 577990-53-5.
What is the molecular formula of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The molecular formula of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is C26H24F3N3O2S.
What is the molecular weight of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The molecular weight of 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is 499.15 g/mol.
Where can I buy 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
You can request a quote for 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2(3H)-ylideneamino)-1-(3,4-dimethylphenyl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.