CAS RN: 444722-95-6
NU6102
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.20251226 | 10mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS444722-95-6
- Purity/Analytical Methods: >99.0%
444722-95-6 / 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide
Basic Information
CAS
444722-95-6
Multi CAS
No
Molecular Formula
C18H22N6O3S
Molecular Weight
402.500000
Exact Mass
402.147410
InChI
InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKey
OWXORKPNCHJYOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
104.85
TPSA
135.88
LogP / Solubility
WLOGP
2.7
MLOGP
2.4
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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