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CAS 84139-00-4 (2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-HYDRAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 84139-00-4

(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-HYDRAZINE HYDROCHLORIDE

  • Product code: SSC-191719
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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 84139-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

84139-00-4 / 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine;hydrochloride

Standard CAS: 84139-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84139-00-4
Multi CAS
No
Molecular Formula
C8H11CLN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
InChI
InChI=1S/C8H10N2O2.ClH/c9-10-6-1-2-7-8(5-6)12-4-3-11-7;/h1-2,5,10H,3-4,9H2;1H
InChIKey
LRTNSVAUVCJCBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.49
TPSA
56.51

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.13

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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