CAS RN: 2255338-25-9
SGC-iMLLT
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.20250808 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2255338-25-9
- Purity/Analytical Methods: >99.0%
2255338-25-9 / 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide
Basic Information
CAS
2255338-25-9
Multi CAS
No
Molecular Formula
C22H24N6O
Molecular Weight
388.500000
Exact Mass
388.201159
SMILES
C[C@H]1CCCN1CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N(N=C5)C
InChI
InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1
InChIKey
QGNDVASWIHEXCL-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
113.87
TPSA
78.84
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
2.8
Consensus LogP
3.25
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 2256046-71-4 (2S)-1-[(4R)-4,5-Dihydro-4-phenylmethyl-2-oxazolyl]-2-(diphenylphosphino)ferrocene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2S)-1-[(4R)-4,5-Dihydro-4-phenylmethyl-2-oxazolyl]-2-(diphenylphosphino)ferrocene
- CAS RN: 2256046-71-4
- Product Code: SSC-110333
-
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
- CAS RN: 2256755-09-4
- Product Code: SSC-110346
-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)thiazole
- CAS RN: 2256758-32-2
- Product Code: SSC-110351
-
Cu-HHTP
- CAS RN: 2257422-27-6
- Product Code: starshine_CAS2257422-27-6
- Purity/Analytical method: >99.0%
-
-
2-bromo-7-chlorosipro[fluorene-9,9′-xanthene]
- CAS RN: 2259716-83-9
- Product Code: starshine_CAS2259716-83-9
- Purity/Analytical method: >99.0%
![CAS 2256046-71-4 (2S)-1-[(4R)-4,5-Dihydro-4-phenylmethyl-2-oxazolyl]-2-(diphenylphosphino)ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2256046-71-4.gif)
![CAS 2259716-83-9 2-bromo-7-chlorosipro[fluorene-9,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259716-83-9.gif)