![CAS 756457-63-3 1-(Morpholine-4-sulfonyl)-[1,4]diazepane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/756457-63-3.gif)
CAS RN: 756457-63-3
1-(Morpholine-4-sulfonyl)-[1,4]diazepane
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.20250103 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS756457-63-3
- Purity/Analytical Methods: >99.0%
756457-63-3 / 4-(1,4-diazepan-1-ylsulfonyl)morpholine
Basic Information
CAS
756457-63-3
Multi CAS
No
Molecular Formula
C9H19N3O3S
Molecular Weight
249.330000
Exact Mass
249.114713
InChI
InChI=1S/C9H19N3O3S/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11/h10H,1-9H2
InChIKey
SWIILVWKJLSFKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.37
TPSA
61.88
LogP / Solubility
WLOGP
-1.14
MLOGP
-1
XLogP3
-1.2
Consensus LogP
-1.11
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-5.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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