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CAS 93587-23-6 7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE molecular structure lightbox
CAS RN: 93587-23-6

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-207883
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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 93587-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

93587-23-6 / 7-bromo-3,7a-dihydropyrrolo[3,2-d]pyrimidin-4-one

Standard CAS: 93587-23-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93587-23-6
Multi CAS
Yes
Molecular Formula
BC6H4ORn3
Molecular Weight
214.020000
Exact Mass
212.953770
InChI
InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)9-2-10-6(5)11/h1-2,8H,(H,9,10,11)
InChIKey
HNQUXIMIIVPBPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.87
TPSA
53.82

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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