CAS RN: 72372-71-5
6-Amino-1-hexanesulfonic acid
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.20260214 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: LINA907365
72372-71-5 / 6-aminohexane-1-sulfonic acid
Basic Information
CAS
72372-71-5
Multi CAS
No
Molecular Formula
C6H15NO3S
Molecular Weight
181.260000
Exact Mass
181.077265
SMILES
C(CCCS(=O)(=O)O)CCN
InChI
InChI=1S/C6H15NO3S/c7-5-3-1-2-4-6-11(8,9)10/h1-7H2,(H,8,9,10)
InChIKey
KIDCLLZBQFQFAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.94
TPSA
80.39
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
-2.7
Consensus LogP
-0.66
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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