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CAS 1022094-01-4 (S)-N-Boc-3-Methylmorpholine molecular structure lightbox
CAS RN: 1022094-01-4

(S)-N-Boc-3-Methylmorpholine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-003491
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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: 10g
  • Available purity: ＞97%
  • 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 1022094-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

1022094-01-4 / tert-butyl (3S)-3-methylmorpholine-4-carboxylate

(R)-N-Boc-3-Methylmorpholine | tert-butyl (3R)-3-methylmorpholine-4-carboxylate | MFCD16038029

Standard CAS: 1022094-01-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1022094-01-4
Multi CAS
Yes
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
C[C@H]1COCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-8-7-13-6-5-11(8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKey
LSDUBIYDVJGIQH-QMMMGPOBSA-N
Synonyms
(R)-N-Boc-3-Methylmorpholine tert-butyl (3R)-3-methylmorpholine-4-carboxylate MFCD16038029 4-Morpholinecarboxylic acid, 3-methyl-, 1,1-dimethylethyl ester, (3R)- (R)-1-N-Boc-2-methyl morpholine

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.22
TPSA
38.77

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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