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CAS 561066-32-8 D-threo-Pentitol, 1,4-anhydro-2,3-dideoxy-2-[[(1,1- molecular structure lightbox
CAS RN: 561066-32-8

D-threo-Pentitol, 1,4-anhydro-2,3-dideoxy-2-[[(1,1-

  • Product code: SSC-164070
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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: 2
  • 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 561066-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

561066-32-8 / tert-butyl N-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]carbamate

Standard CAS: 561066-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
561066-32-8
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-4-8(5-12)14-6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKey
CZOJNJOUBYNHNG-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.6
TPSA
67.79

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.58

Drug-likeness / Medicinal Chemistry

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

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