CAS RN: 1802489-65-1
tert-Butyl 3-(aminomethyl)morpholine-4-carboxylate hydrochloride
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260530 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS1802489-65-1
- Purity/Analytical Methods: >99.0%
1802489-65-1 / tert-butyl 3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
Basic Information
CAS
1802489-65-1
Multi CAS
No
Molecular Formula
C10H21ClN2O3
Molecular Weight
252.740000
Exact Mass
252.124070
SMILES
CC(C)(C)OC(=O)N1CCOCC1CN.Cl
InChI
InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11;/h8H,4-7,11H2,1-3H3;1H
InChIKey
YDSFWBOOABKQEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.85
TPSA
64.79
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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