CAS RN: 2237268-08-3
SBI-797812
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260126 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260516 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251019 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250816 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260214 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260102 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2237268-08-3
- Purity/Analytical Methods: >99.0%
2237268-08-3 / 1-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea
Basic Information
CAS
2237268-08-3
Multi CAS
No
Molecular Formula
C19H22N4O4S
Molecular Weight
402.500000
Exact Mass
402.136176
SMILES
C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C19H22N4O4S/c24-19(21-11-14-7-9-20-10-8-14)22-15-1-5-18(6-2-15)28(25,26)23-12-16-3-4-17(13-23)27-16/h1-2,5-10,16-17H,3-4,11-13H2,(H2,21,22,24)
InChIKey
KTSOHNHLOLGQCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.19
TPSA
100.63
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
0.7
Consensus LogP
1.47
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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