CAS RN: 71398-48-6
4-(aminomethyl)-N,N-dimethylbenzene-1-sulfonamide hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71398-48-6
- Purity/Analytical Methods: >99.0%
71398-48-6 / 4-(aminomethyl)-N,N-dimethylbenzenesulfonamide;hydrochloride
Basic Information
CAS
71398-48-6
Multi CAS
Yes
Molecular Formula
C9H15CLN2O2S
Molecular Weight
250.750000
Exact Mass
250.054277
InChI
InChI=1S/C9H14N2O2S.ClH/c1-11(2)14(12,13)9-5-3-8(7-10)4-6-9;/h3-6H,7,10H2,1-2H3;1H
InChIKey
DIDLSEFLWXSSDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.45
TPSA
63.4
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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