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CAS 1951439-31-8 2,4(1H,3H)-Quinazolinedione, 6-chloro-7-bromo- molecular structure lightbox
CAS RN: 1951439-31-8

2,4(1H,3H)-Quinazolinedione, 6-chloro-7-bromo-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-092032
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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: ＞97%
  • 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 1951439-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1951439-31-8 / 7-bromo-6-chloro-1H-quinazoline-2,4-dione

Standard CAS: 1951439-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951439-31-8
Multi CAS
No
Molecular Formula
C8H4BrClN2O2
Molecular Weight
275.480000
Exact Mass
273.914470
SMILES
C1=C2C(=CC(=C1Cl)Br)NC(=O)NC2=O
InChI
InChI=1S/C8H4BrClN2O2/c9-4-2-6-3(1-5(4)10)7(13)12-8(14)11-6/h1-2H,(H2,11,12,13,14)
InChIKey
QXITVDCNFMNNQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.9
TPSA
65.72

LogP / Solubility

WLOGP
1.63
MLOGP
1.45
XLogP3
2.1
Consensus LogP
1.73
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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