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CAS 195985-12-7 8-CARBOXYLIC-3H-1,4-BENZODIAZEPIN-2,5-(1H,4H)-DIONE molecular structure lightbox
CAS RN: 195985-12-7

8-CARBOXYLIC-3H-1,4-BENZODIAZEPIN-2,5-(1H,4H)-DIONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-092632
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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 195985-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

195985-12-7 / 2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid

Standard CAS: 195985-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195985-12-7
Multi CAS
No
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
SMILES
C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)N1
InChI
InChI=1S/C10H8N2O4/c13-8-4-11-9(14)6-2-1-5(10(15)16)3-7(6)12-8/h1-3H,4H2,(H,11,14)(H,12,13)(H,15,16)
InChIKey
RFGPIJJAGNRBBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.36
TPSA
95.5

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.3
Consensus LogP
-0.06
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

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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