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CAS 1443623-92-4 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole molecular structure lightbox
CAS RN: 1443623-92-4

5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole

  • Product code: SSC-055577
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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: 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 1443623-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1443623-92-4 / 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole

Standard CAS: 1443623-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443623-92-4
Multi CAS
No
Molecular Formula
C10H9F2N
Molecular Weight
181.180000
Exact Mass
181.070306
SMILES
C1CC(=NC1)C2=C(C=CC(=C2)F)F
InChI
InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKey
QIZHVCUPPAMGIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47
TPSA
12.36

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.02

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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