CAS RN: 1523572-03-3
tert-Butyl ((3-methylazetidin-3-yl)methyl)carbamate oxalate(2:1)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250521 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1523572-03-3
- Purity/Analytical Methods: >99.0%
1523572-03-3 / bis(tert-butyl N-[(3-methylazetidin-3-yl)methyl]carbamate);oxalic acid
Basic Information
CAS
1523572-03-3
Multi CAS
No
Molecular Formula
C22H42N4O8
Molecular Weight
490.600000
Exact Mass
490.300264
SMILES
CC1(CNC1)CNC(=O)OC(C)(C)C.CC1(CNC1)CNC(=O)OC(C)(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/2C10H20N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-7-10(4)5-11-6-10;3-1(4)2(5)6/h2*11H,5-7H2,1-4H3,(H,12,13);(H,3,4)(H,5,6)
InChIKey
NWLAZWQIVOTSTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
6
Molar refractivity
125.7
TPSA
175.32
LogP / Solubility
WLOGP
1.4
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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