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CAS 385380-74-5 1-(2-Fluoro-4-nitrophenyl)pyrrolidine molecular structure lightbox
CAS RN: 385380-74-5

1-(2-Fluoro-4-nitrophenyl)pyrrolidine

  • Product code: SSC-146182
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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, 5g
  • Available purity: >97%
  • 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 385380-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

385380-74-5 / 1-(2-fluoro-4-nitrophenyl)pyrrolidine

Standard CAS: 385380-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
385380-74-5
Multi CAS
No
Molecular Formula
C10FH11N2O2
Molecular Weight
210.200000
Exact Mass
210.080456
InChI
InChI=1S/C10H11FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
SMKXLBISYVJESG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.5
TPSA
46.38

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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