CAS RN: 915922-50-8
CHEMBRDG-BB 7731115
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.20260120 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS915922-50-8
- Purity/Analytical Methods: >99.0%
915922-50-8 / 1-methylsulfonylbenzimidazol-2-amine
Basic Information
CAS
915922-50-8
Multi CAS
No
Molecular Formula
C8H9N3O2S
Molecular Weight
211.240000
Exact Mass
211.041548
InChI
InChI=1S/C8H9N3O2S/c1-14(12,13)11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKey
RZUVPGKUELYOQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.39
TPSA
77.98
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
0.7
Consensus LogP
0.5
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
CHEMBRDG-BB 9070652
- CAS RN: 915923-10-3
- Product Code: starshine_CAS915923-10-3
- Purity/Analytical method: >99.0%
-
CHEMBRDG-BB 4002780
- CAS RN: 915923-61-4
- Product Code: starshine_CAS915923-61-4
- Purity/Analytical method: >99.0%
-
