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CAS 284474-77-7 1,3-PROPANE-D6-DIOL molecular structure lightbox
CAS RN: 284474-77-7

1,3-PROPANE-D6-DIOL

  • Product code: SSC-129697
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 284474-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

284474-77-7 / 1,1,2,2,3,3-hexadeuteriopropane-1,3-diol

Standard CAS: 284474-77-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
284474-77-7
Multi CAS
Yes
Molecular Formula
C3H8O2
Molecular Weight
82.130000
Exact Mass
82.090090
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2
InChIKey
YPFDHNVEDLHUCE-NMFSSPJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
18.79
TPSA
40.46

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.58
XLogP3
-1
Consensus LogP
-0.74
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly 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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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