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CAS 22162-53-4 10,11-DIHYDRO-5H-BENZO[E]PYRROLO[1,2-A][1,4]DIAZEPINE molecular structure lightbox
CAS RN: 22162-53-4

10,11-DIHYDRO-5H-BENZO[E]PYRROLO[1,2-A][1,4]DIAZEPINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-106610
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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 22162-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

22162-53-4 / 6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

Standard CAS: 22162-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22162-53-4
Multi CAS
No
Molecular Formula
C12H12N2
Molecular Weight
184.240000
Exact Mass
184.100048
SMILES
C1C2=CC=CN2CC3=CC=CC=C3N1
InChI
InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-7,13H,8-9H2
InChIKey
POAQFKSUTQWHMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.3
TPSA
16.96

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
1.8
Consensus LogP
2.14
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

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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