[email protected]
CAS 1400589-80-1 (S)-TERT-BUTYL 6-(HYDROXYMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 1400589-80-1

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

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-050520
GET A QUOTE
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
Request Bulk Quote

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 1400589-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1400589-80-1 / tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate

Standard CAS: 1400589-80-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1400589-80-1
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-/m0/s1
InChIKey
KKFSVQAEKAPAJT-VIFPVBQESA-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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us