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CAS 1217685-44-3 (R)-METHYL2-(MORPHOLIN-3-YL)ACETATEHYDROCHLORIDE molecular structure lightbox
CAS RN: 1217685-44-3

(R)-METHYL2-(MORPHOLIN-3-YL)ACETATEHYDROCHLORIDE

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 100mg Out of stock Inquiry
Batchno.20251101 1g Out of stock Inquiry
Batchno.20250107 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1217685-44-3
  • Purity/Analytical Methods: >99.0%
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1217685-44-3 / methyl 2-[(3R)-morpholin-3-yl]acetate;hydrochloride

Standard CAS: 1217685-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217685-44-3
Multi CAS
No
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
COC(=O)C[C@@H]1COCCN1.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-10-7(9)4-6-5-11-3-2-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKey
YLONGJCTTJXALT-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.49
TPSA
47.56

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.04
Consensus LogP
-0.04
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.94

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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