CAS RN: 74588-78-6
(5-METHOXY-1H-INDOL-2-YL)PHENYLMETHANONE
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.20260525 | 10mg / 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74588-78-6
- Purity/Analytical Methods: >99.0%
74588-78-6 / (5-methoxy-1H-indol-2-yl)-phenylmethanone
Basic Information
CAS
74588-78-6
Multi CAS
Yes
Molecular Formula
C16H13NO2
Molecular Weight
251.280000
Exact Mass
251.094629
InChI
InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKey
ICMIJSRDISNKOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.73
TPSA
42.09
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.7
Consensus LogP
3.37
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
5-Chloro-4-methyl-thiophene-2-carboxylic acid
- CAS RN: 74598-03-1
- Product Code: SSC-184043
-
ethyl 5-chloro-4-formylthiophene-2-carboxylate
- CAS RN: 74598-06-4
- Product Code: SSC-184044
-
2-(4-ethylcyclohexyl)acetic acid
- CAS RN: 74603-22-8
- Product Code: starshine_CAS74603-22-8
- Purity/Analytical method: >99.0%
