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CAS 1781137-89-0 4,5-Difluoro-2,3-dihydro-1H-isoindole molecular structure lightbox
CAS RN: 1781137-89-0

4,5-Difluoro-2,3-dihydro-1H-isoindole

  • Product code: SSC-078327
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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: 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 1781137-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1781137-89-0 / 4,5-difluoro-2,3-dihydro-1H-isoindole

Standard CAS: 1781137-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1781137-89-0
Multi CAS
No
Molecular Formula
C8H7F2N
Molecular Weight
155.140000
Exact Mass
155.054656
SMILES
C1C2=C(CN1)C(=C(C=C2)F)F
InChI
InChI=1S/C8H7F2N/c9-7-2-1-5-3-11-4-6(5)8(7)10/h1-2,11H,3-4H2
InChIKey
FOMQOEHZFJEHAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.9
TPSA
12.03

LogP / Solubility

WLOGP
1.57
MLOGP
1.37
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.55

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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