CAS RN: 161374-55-6
SBi4211 dimethanesulfonate
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250706 | 1g | Out of stock | Inquiry | |
| Batchno.20260330 | 250mg | Out of stock | Inquiry | |
| Batchno.20251006 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251210 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS161374-55-6
- Purity/Analytical Methods: >99.0%
161374-55-6 / 4-[7-(4-carbamimidoylphenoxy)heptoxy]benzenecarboximidamide;methanesulfonic acid
Basic Information
CAS
161374-55-6
Multi CAS
No
Molecular Formula
C23H36N4O8S2
Molecular Weight
560.700000
Exact Mass
560.197456
SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCCCCOC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C21H28N4O2.2CH4O3S/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25;2*1-5(2,3)4/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25);2*1H3,(H,2,3,4)
InChIKey
VJPVVWMWVOBCIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
6
Molar refractivity
143.94
TPSA
226.94
LogP / Solubility
WLOGP
2.67
MLOGP
2.39
XLogP3
2.67
Consensus LogP
2.58
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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