CAS RN: 1093085-91-6
(2R,6S)-6-(benzyloxyMethyl)-4-(tert-butoxycarbonyl)Morpholine-2-carboxylic acid
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.20250714 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1093085-91-6
- Purity/Analytical Methods: >99.0%
1093085-91-6 / (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxymethyl)morpholine-2-carboxylic acid
(2R,6S)-6-(benzyloxymethyl)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid | (2R,6S)-6-((benzyloxy)methyl)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid | (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxymethyl)morpholine-2-carboxylic acid
Basic Information
CAS
1093085-91-6
Multi CAS
Yes
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@H](C1)C(=O)O)COCC2=CC=CC=C2
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-14(24-15(10-19)16(20)21)12-23-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,21)/t14-,15+/m0/s1
InChIKey
MGQKLKYOXSATQI-LSDHHAIUSA-N
Synonyms
(2R,6S)-6-(benzyloxymethyl)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid
(2R,6S)-6-((benzyloxy)methyl)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid
(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxymethyl)morpholine-2-carboxylic acid
(2R,6S)-6-[(benzyloxy)methyl]-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid
SCHEMBL2811260
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.2
TPSA
85.3
LogP / Solubility
WLOGP
2.29
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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