CAS RN: 1439373-47-3
(2S)-4-Cbz-2,4-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.20250618 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1439373-47-3
- Purity/Analytical Methods: >99.0%
1439373-47-3 / (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylic acid
Basic Information
CAS
1439373-47-3
Multi CAS
No
Molecular Formula
C13H15NO5
Molecular Weight
265.260000
Exact Mass
265.095023
SMILES
C1CO[C@@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKey
AVQCLRKABAZVMZ-NSHDSACASA-N
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Customers Also Viewed
-
(S)-Morpholine-2-carboxylic acid hydrochloride
- CAS RN: 1439373-55-3
- Product Code: SSC-055196
-
1439382-22-5
- CAS RN: 1439382-22-5
- Product Code: starshine_CAS1439382-22-5
- Purity/Analytical method: >99.0%
-
CB-839
- CAS RN: 1439399-58-2
- Product Code: starshine_CAS1439399-58-2
- Purity/Analytical method: >99.0%
-
N-(6-chloropyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide
- CAS RN: 1439400-46-0
- Product Code: SSC-055203
-
(-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene
- CAS RN: 1439556-82-7
- Product Code: SSC-055209
-
1-(4-Ethynylphenyl)sulfonylpiperazine hydrochloride
- CAS RN: 1439818-89-9
- Product Code: SSC-055218
![CAS 1439556-82-7 (-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439556-82-7.gif)
