CAS RN: 1581750-77-7
(2R,6S)-4-(tert-butoxycarbonyl)-6-(hydroxyMethyl)Morpholine-2-carboxylic acid
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1581750-77-7
- Purity/Analytical Methods: >99.0%
1581750-77-7 / (2R,6S)-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Basic Information
CAS
1581750-77-7
Multi CAS
No
Molecular Formula
C11H19NO6
Molecular Weight
261.270000
Exact Mass
261.121237
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@H](C1)C(=O)O)CO
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-4-7(6-13)17-8(5-12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKey
OYVCKUZJORUIFX-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.19
TPSA
96.3
LogP / Solubility
WLOGP
0.07
MLOGP
0.07
XLogP3
-0.3
Consensus LogP
-0.05
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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