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CAS 5177-43-5 Dihydrochloride molecular structure lightbox
CAS RN: 5177-43-5

Dihydrochloride

  • Product code: SSC-158716
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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 5177-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

5177-43-5 / 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;dihydrochloride

Standard CAS: 5177-43-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5177-43-5
Multi CAS
Yes
Molecular Formula
C9H14CL2N2
Molecular Weight
221.120000
Exact Mass
220.053404
InChI
InChI=1S/C9H12N2.2ClH/c1-2-4-9-8(3-1)7-10-5-6-11-9;;/h1-4,10-11H,5-7H2;2*1H
InChIKey
QBRATFCJCUYIDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.13
TPSA
24.06

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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