![CAS 1435934-29-4 [1-(6-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1435934-29-4.gif)
CAS RN: 1435934-29-4
[1-(6-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1435934-29-4
- Purity/Analytical Methods: >99.0%
1435934-29-4 / [1-(6-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
Basic Information
CAS
1435934-29-4
Multi CAS
No
Molecular Formula
C25H25NO2
Molecular Weight
371.500000
Exact Mass
371.188529
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCCO
InChI
InChI=1S/C25H25NO2/c27-17-8-2-1-7-16-26-18-23(21-13-5-6-15-24(21)26)25(28)22-14-9-11-19-10-3-4-12-20(19)22/h3-6,9-15,18,27H,1-2,7-8,16-17H2
InChIKey
LBVZVDUWOZUDJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
114.87
TPSA
42.23
LogP / Solubility
WLOGP
5.58
MLOGP
4.93
XLogP3
5.3
Consensus LogP
5.27
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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![CAS 1435940-19-4 “(2S,2’S,3S,3’S)-4,4′-di(anthracen-9-yl)-3,3′-di-tert-butyl-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1435940-19-4.gif)