CAS RN: 89159-60-4
CHEMBRDG-BB 5280909
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.20260112 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89159-60-4
- Purity/Analytical Methods: >99.0%
89159-60-4 / (1-methyl-5-nitro-3-phenylindol-2-yl)methanol
Basic Information
CAS
89159-60-4
Multi CAS
Yes
Molecular Formula
C16H14N2O3
Molecular Weight
282.290000
Exact Mass
282.100442
InChI
InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKey
GNJUKVGDCUKDLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.93
TPSA
68.3
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.6
Consensus LogP
2.91
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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