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CAS 160415-07-6 (2S)-(+)-5,5-DIMETHYL-2-MORPHOLINEACETIC ACID molecular structure lightbox
CAS RN: 160415-07-6

(2S)-(+)-5,5-DIMETHYL-2-MORPHOLINEACETIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS160415-07-6
  • Purity/Analytical Methods: >99.0%
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160415-07-6 / 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride

Standard CAS: 160415-07-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
160415-07-6
Multi CAS
No
Molecular Formula
C8H16ClNO3
Molecular Weight
209.670000
Exact Mass
209.081871
SMILES
CC1(CO[C@H](CN1)CC(=O)O)C.Cl
InChI
InChI=1S/C8H15NO3.ClH/c1-8(2)5-12-6(4-9-8)3-7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t6-;/m0./s1
InChIKey
QYYBBASPKHNBKA-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.32
TPSA
58.56

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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