CAS RN: 1263078-18-7
(S)-4-BOC-5-HYDROXYMETHYL-2,2-DIMETHYL-MORPHOLINE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250217 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1263078-18-7
- Purity/Analytical Methods: >99.0%
1263078-18-7 / tert-butyl (5S)-5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
Basic Information
CAS
1263078-18-7
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CC1(CN([C@H](CO1)CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
YOYWIKXSQOIMTP-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.84
TPSA
59
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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