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CAS 1427475-15-7 Methyl 4-BenzylMorpholine-2-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1427475-15-7

Methyl 4-BenzylMorpholine-2-carboxylate Hydrochloride

  • Product code: SSC-053930
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1427475-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1427475-15-7 / methyl 4-benzylmorpholine-2-carboxylate;hydrochloride

Standard CAS: 1427475-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427475-15-7
Multi CAS
No
Molecular Formula
C13H18ClNO3
Molecular Weight
271.740000
Exact Mass
271.097521
SMILES
COC(=O)C1CN(CCO1)CC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H17NO3.ClH/c1-16-13(15)12-10-14(7-8-17-12)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H
InChIKey
ZYVZEZYXXMJLSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.72
TPSA
38.77

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-3.33

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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