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CAS 1205749-44-5 N-Boc-3-ethylMorpholine-3-carboxylic Acid molecular structure lightbox
CAS RN: 1205749-44-5

N-Boc-3-ethylMorpholine-3-carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021597
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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, 1g, 5g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1205749-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry

1205749-44-5 / 3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid

N-Boc-3-ethylmorpholine-3-carboxylic Acid | 4-(tert-butoxycarbonyl)-3-ethylmorpholine-3-carboxylic acid | MFCD14582558

Standard CAS: 1205749-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1205749-44-5
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CCC1(COCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-5-12(9(14)15)8-17-7-6-13(12)10(16)18-11(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKey
SOHNOCHHIWUYFV-UHFFFAOYSA-N
Synonyms
N-Boc-3-ethylmorpholine-3-carboxylic Acid 4-(tert-butoxycarbonyl)-3-ethylmorpholine-3-carboxylic acid MFCD14582558 3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid 4-[(tert-butoxy)carbonyl]-3-ethylmorpholine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.42
TPSA
76.07

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

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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