CAS RN: 620627-46-5
(R)-N-(2-HYDROXY-2-METHYL-1-PHENYL-PROPYL)-4-METHYL-BENZENESULFONAMIDE
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.20251226 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS620627-46-5
- Purity/Analytical Methods: >99.0%
620627-46-5 / N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-methylbenzenesulfonamide
Basic Information
CAS
620627-46-5
Multi CAS
Yes
Molecular Formula
C17H21NO3S
Molecular Weight
319.400000
Exact Mass
319.124215
InChI
InChI=1S/C17H21NO3S/c1-13-9-11-15(12-10-13)22(20,21)18-16(17(2,3)19)14-7-5-4-6-8-14/h4-12,16,18-19H,1-3H3/t16-/m1/s1
InChIKey
ZTVQXNICBNVQJO-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.98
TPSA
66.4
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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