CAS RN: 74938-88-8
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250425 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260103 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250811 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251230 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260518 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS74938-88-8
- Purity/Analytical Methods: >99.0%
74938-88-8 / (4-carbamimidoylphenyl)methanesulfonyl fluoride;hydrochloride
Basic Information
CAS
74938-88-8
Multi CAS
Yes
Molecular Formula
C8H10CLFN2O2S
Molecular Weight
252.690000
Exact Mass
252.013555
InChI
InChI=1S/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
KHLLRHIUKOJXLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.44
TPSA
84.01
LogP / Solubility
WLOGP
1.19
MLOGP
1.06
XLogP3
1.19
Consensus LogP
1.15
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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