CAS RN: 1313277-22-3
(R)-6,6-Dimethyl-morpholine-3-carboxylic acid hydrochloride
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.20250508 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1313277-22-3
- Purity/Analytical Methods: >99.0%
1313277-22-3 / (3R)-6,6-dimethylmorpholine-3-carboxylic acid;hydrochloride
Basic Information
CAS
1313277-22-3
Multi CAS
No
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
CC1(CN[C@H](CO1)C(=O)O)C.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-7(2)4-8-5(3-11-7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H/t5-;/m1./s1
InChIKey
JCLGQALHYUKMJK-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.71
TPSA
58.56
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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