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CAS 214916-08-2 (5-BROMO-2-FLUORO-PHENYL)-HYDRAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 214916-08-2

(5-BROMO-2-FLUORO-PHENYL)-HYDRAZINE HYDROCHLORIDE

  • Product code: SSC-103037
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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: 5g
  • 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 214916-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

214916-08-2 / (5-bromo-2-fluorophenyl)hydrazine;hydrochloride

Standard CAS: 214916-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214916-08-2
Multi CAS
No
Molecular Formula
C6H7BrClFN2
Molecular Weight
241.490000
Exact Mass
239.946520
SMILES
C1=CC(=C(C=C1Br)NN)F.Cl
InChI
InChI=1S/C6H6BrFN2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
InChIKey
SDCZMAWLMHZGMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.16
TPSA
38.05

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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