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CAS 1951424-85-3 (R)-TERT-BUTYL 6-(AMINOMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE OXALATE molecular structure lightbox
CAS RN: 1951424-85-3

(R)-TERT-BUTYL 6-(AMINOMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE OXALATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-092017
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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: 1g
  • 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 1951424-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1951424-85-3 / tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate;oxalic acid

Standard CAS: 1951424-85-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951424-85-3
Multi CAS
No
Molecular Formula
C14H26N2O7
Molecular Weight
334.370000
Exact Mass
334.174001
SMILES
CC1(CN(C[C@H](O1)CN)C(=O)OC(C)(C)C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C12H24N2O3.C2H2O4/c1-11(2,3)17-10(15)14-7-9(6-13)16-12(4,5)8-14;3-1(4)2(5)6/h9H,6-8,13H2,1-5H3;(H,3,4)(H,5,6)/t9-;/m1./s1
InChIKey
WQCZAAPKLLZPSE-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
81.09
TPSA
139.39

LogP / Solubility

WLOGP
0.52
MLOGP
0.47
XLogP3
0.52
Consensus LogP
0.5
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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