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CAS 36725-37-8 6-(4-BROMOPHENYL)-4 5-DIHYDRO-2H-PYRIDA& molecular structure lightbox
CAS RN: 36725-37-8

6-(4-BROMOPHENYL)-4 5-DIHYDRO-2H-PYRIDA&

  • Product code: SSC-143945
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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: 5g
  • 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 36725-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

36725-37-8 / 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

Standard CAS: 36725-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36725-37-8
Multi CAS
Yes
Molecular Formula
BC10H9ORn2
Molecular Weight
253.090000
Exact Mass
251.989830
InChI
InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey
CDDNLMGOLYMTSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.06
TPSA
41.46

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

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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