CAS RN: 1823822-55-4
Benzyl 3-(2-Aminothiazol-4-Yl)Morpholine-4-Carboxylate
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.20250226 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823822-55-4
- Purity/Analytical Methods: >99.0%
1823822-55-4 / benzyl 3-(2-amino-1,3-thiazol-4-yl)morpholine-4-carboxylate
Basic Information
CAS
1823822-55-4
Multi CAS
No
Molecular Formula
C15H17N3O3S
Molecular Weight
319.400000
Exact Mass
319.099063
SMILES
C1COCC(N1C(=O)OCC2=CC=CC=C2)C3=CSC(=N3)N
InChI
InChI=1S/C15H17N3O3S/c16-14-17-12(10-22-14)13-9-20-7-6-18(13)15(19)21-8-11-4-2-1-3-5-11/h1-5,10,13H,6-9H2,(H2,16,17)
InChIKey
RHWNUNCWITXKGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.42
TPSA
77.68
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.5
Consensus LogP
2.03
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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