CAS RN: 667463-82-3
INDIRUBIN-3-MONOXIME
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: starshine_CAS667463-82-3
- Purity/Analytical Methods: >99.0%
667463-82-3 / 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Basic Information
CAS
667463-82-3
Multi CAS
Yes
Molecular Formula
C16H11N3O2
Molecular Weight
277.280000
Exact Mass
277.085127
InChI
InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
InChIKey
FQCPPVRJPILDIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
82.71
TPSA
81.24
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
3.2
Consensus LogP
3.84
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(2’Z,3’E)-6-BROMOINDIRUBIN-3′-ACETOXIME
- CAS RN: 667463-85-6
- Product Code: starshine_CAS667463-85-6
- Purity/Analytical method: >99.0%
-
1-METHYL-BIO
- CAS RN: 667463-95-8
- Product Code: starshine_CAS667463-95-8
- Purity/Analytical method: >99.0%
-
5-METHYL-3-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOLE
- CAS RN: 667873-25-8
- Product Code: SSC-176435
-
5-({1-[2-(2,4-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- CAS RN: 667880-38-8
- Product Code: starshine_CAS667880-38-8
- Purity/Analytical method: >99.0%
-
Histone H4 (2-21)
- CAS RN: 667899-73-2
- Product Code: starshine_CAS667899-73-2
- Purity/Analytical method: >99.0%
-
(2-FLUOROPYRIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE
- CAS RN: 667906-60-7
- Product Code: SSC-176441
![CAS 667880-38-8 5-({1-[2-(2,4-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/667880-38-8.gif)
