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CAS 795299-76-2 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 795299-76-2

INDEX NAME NOT YET ASSIGNED

  • Product code: SSC-188672
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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: 0.25g
  • 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 795299-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

795299-76-2 / N'-(2,2-difluoroethyl)-N'-methylethane-1,2-diamine

Standard CAS: 795299-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
795299-76-2
Multi CAS
No
Molecular Formula
C5F2H12N2
Molecular Weight
138.160000
Exact Mass
138.096855
InChI
InChI=1S/C5H12F2N2/c1-9(3-2-8)4-5(6)7/h5H,2-4,8H2,1H3
InChIKey
HZWVDKDSDLHMCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.56
TPSA
29.26

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.2
Consensus LogP
0.15
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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