CAS RN: 612499-25-9
3-hydroxy-N-MethylbenzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250425 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS612499-25-9
- Purity/Analytical Methods: >99.0%
612499-25-9 / 3-hydroxy-N-methylbenzenesulfonamide
Basic Information
CAS
612499-25-9
Multi CAS
No
Molecular Formula
C7H9NO3S
Molecular Weight
187.220000
Exact Mass
187.030314
InChI
InChI=1S/C7H9NO3S/c1-8-12(10,11)7-4-2-3-6(9)5-7/h2-5,8-9H,1H3
InChIKey
KPPZBUMGQMDQAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.35
TPSA
66.4
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.6
Consensus LogP
0.39
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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