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CAS 926204-36-6 1-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid molecular structure lightbox
CAS RN: 926204-36-6

1-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

  • Product code: SSC-206339
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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: 0.1g
  • 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 926204-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

926204-36-6 / 1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Standard CAS: 926204-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926204-36-6
Multi CAS
No
Molecular Formula
BC14H13O2Rn2
Molecular Weight
321.170000
Exact Mass
320.016040
InChI
InChI=1S/C14H13BrN2O2/c15-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(16-17)14(18)19/h3-5,8H,1-2,6-7H2,(H,18,19)
InChIKey
VBQZORHBTCMSKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.87
TPSA
55.12

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.7
Consensus LogP
3.25
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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