CAS RN: 331467-03-9
5-Iodoindirubin-3′-monoxime
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.20251009 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331467-03-9
- Purity/Analytical Methods: >99.0%
331467-03-9 / 5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Basic Information
CAS
331467-03-9
Multi CAS
No
Molecular Formula
C16H10In3O2
Molecular Weight
403.170000
Exact Mass
402.981770
InChI
InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
InChIKey
WCCYEJYTLNWYCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.43
TPSA
81.24
LogP / Solubility
WLOGP
5.02
MLOGP
4.45
XLogP3
3.8
Consensus LogP
4.42
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61
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
Customers Also Viewed
-
INDIRUBIN-3′-MONOXIME-5-SULPHONIC ACID
- CAS RN: 331467-05-1
- Product Code: starshine_CAS331467-05-1
- Purity/Analytical method: >99.0%
-
-
1-(4-METHOXYBENZOYL)-2-(1-NAPHTHOYL)-HYDRAZINE
- CAS RN: 331636-68-1
- Product Code: starshine_CAS331636-68-1
- Purity/Analytical method: >99.0%
-
-
-
.gif)
