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CAS 503166-53-8 2H-Pyran-3-carboxylicacid,4-aminotetrahydro-,methylester(9CI) molecular structure lightbox
CAS RN: 503166-53-8

2H-Pyran-3-carboxylicacid,4-aminotetrahydro-,methylester(9CI)

  • Product code: SSC-156769
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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
  • 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 503166-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry

503166-53-8 / methyl 4-aminooxane-3-carboxylate

Standard CAS: 503166-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503166-53-8
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
InChI
InChI=1S/C7H13NO3/c1-10-7(9)5-4-11-3-2-6(5)8/h5-6H,2-4,8H2,1H3
InChIKey
PLVOQXPMPPTFRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.92
TPSA
61.55

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.42
XLogP3
-0.3
Consensus LogP
-0.4
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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