CAS RN: 1187928-95-5
(3R)-4-Cbz-3,4-Morpholinedicarboxylic 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.20260111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187928-95-5
- Purity/Analytical Methods: >99.0%
1187928-95-5 / (3R)-4-phenylmethoxycarbonylmorpholine-3-carboxylic acid
4-Cbz-3(R)-morpholinecarboxylic acid | (R)-4-((benzyloxy)carbonyl)morpholine-3-carboxylic acid | MFCD04114903
Basic Information
CAS
1187928-95-5
Multi CAS
Yes
Molecular Formula
C13H15NO5
Molecular Weight
265.260000
Exact Mass
265.095023
SMILES
C1COC[C@@H](N1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO5/c15-12(16)11-9-18-7-6-14(11)13(17)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
InChIKey
SUWIPBQDWSTEDN-LLVKDONJSA-N
Synonyms
4-Cbz-3(R)-morpholinecarboxylic acid
(R)-4-((benzyloxy)carbonyl)morpholine-3-carboxylic acid
MFCD04114903
(R)-4-CBZ-MORPHOLINE-3-CARBOXYLIC ACID
(3R)-4-phenylmethoxycarbonylmorpholine-3-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.58
TPSA
76.07
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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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