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CAS 22316-55-8 8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione molecular structure lightbox
CAS RN: 22316-55-8

8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 100μg / 1mg / 5mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-108766
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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: 0.01g, 0.025g
  • 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 22316-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >95% 0 Out of Stock Shanghai Inquiry
0.025g >95% 0 Out of Stock Beijing Inquiry

22316-55-8 / 7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione

Standard CAS: 22316-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22316-55-8
Multi CAS
No
Molecular Formula
C15H11ClN2O2
Molecular Weight
286.710000
Exact Mass
286.050905
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChIKey
RRTVVRIFVKKTJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.29
TPSA
49.41

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
1.9
Consensus LogP
2.74
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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