CAS RN: 4862-94-6
4-AMINO-N-(2-HYDROXYETHYL)BENZENESULFONAMIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS4862-94-6
- Purity/Analytical Methods: >99.0%
4862-94-6 / 4-amino-N-(2-hydroxyethyl)benzenesulfonamide
Basic Information
CAS
4862-94-6
Multi CAS
No
Molecular Formula
C8H12N2O3S
Molecular Weight
216.260000
Exact Mass
216.056863
InChI
InChI=1S/C8H12N2O3S/c9-7-1-3-8(4-2-7)14(12,13)10-5-6-11/h1-4,10-11H,5-6,9H2
InChIKey
NLESYSQTERIDQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.13
TPSA
92.42
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.5
Consensus LogP
-0.45
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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