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CAS 1416444-68-2 (R)-TERT-BUTYL 6-(HYDROXYMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 1416444-68-2

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-052139
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1416444-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1416444-68-2 / tert-butyl (6R)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate

Standard CAS: 1416444-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416444-68-2
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CC1(CN(C[C@@H](O1)CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-12(4,5)8-13/h9,14H,6-8H2,1-5H3/t9-/m1/s1
InChIKey
KKFSVQAEKAPAJT-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.84
TPSA
59

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.23

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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