Home Cart 0 Sign in  

[ CAS No. 100068-60-8 ]

{[proInfo.proName]} (Synonyms:DiR) ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 100068-60-8
Chemical Structure| 100068-60-8
Structure of 100068-60-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 100068-60-8 ]

Related Doc. of [ 100068-60-8 ]

Alternatived Products of [ 100068-60-8 ]

Product Details of [ 100068-60-8 ]

CAS No. :100068-60-8 MDL No. :
Formula : - Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :- Pubchem ID :-
Synonyms :
DiR

Calculated chemistry of [ 100068-60-8 ]

Physicochemical Properties

Num. heavy atoms : 66
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.67
Num. rotatable bonds : 38
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 320.22
TPSA : 6.25 Ų

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : 16.18
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

Lipinski : None
Ghose : None
Veber : None
Egan : None
Muegge : None
Bioavailability Score : None

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 100068-60-8 ]

Signal Word: Class:
Precautionary Statements: UN#:
Hazard Statements: Packing Group:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 100068-60-8 ]

Alkenyls

Chemical Structure| 14696-39-0

[ 14696-39-0 ]

1-Ethyl-2-(3-(1-ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 17094-16-5

[ 17094-16-5 ]

1-Ethyl-2-(5-(1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 36536-22-8

[ 36536-22-8 ]

1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium iodide

Similarity: 0.97

Chemical Structure| 909000-36-8

[ 909000-36-8 ]

2-(3-(1-Ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.92

Chemical Structure| 71728-39-7

[ 71728-39-7 ]

2-(3-(3,3-Dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.90

Related Parent Nucleus of
[ 100068-60-8 ]

Indolines

Chemical Structure| 14696-39-0

[ 14696-39-0 ]

1-Ethyl-2-(3-(1-ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 17094-16-5

[ 17094-16-5 ]

1-Ethyl-2-(5-(1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 36536-22-8

[ 36536-22-8 ]

1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium iodide

Similarity: 0.97

Chemical Structure| 909000-36-8

[ 909000-36-8 ]

2-(3-(1-Ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.92

Chemical Structure| 71728-39-7

[ 71728-39-7 ]

2-(3-(3,3-Dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.90

Indoles

Chemical Structure| 14696-39-0

[ 14696-39-0 ]

1-Ethyl-2-(3-(1-ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 17094-16-5

[ 17094-16-5 ]

1-Ethyl-2-(5-(1-ethyl-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide

Similarity: 0.98

Chemical Structure| 36536-22-8

[ 36536-22-8 ]

1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium iodide

Similarity: 0.97

Chemical Structure| 909000-36-8

[ 909000-36-8 ]

2-(3-(1-Ethyl-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.92

Chemical Structure| 71728-39-7

[ 71728-39-7 ]

2-(3-(3,3-Dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indole

Similarity: 0.90