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CAS 885521-84-6 3,6-DIBROMO (1H)INDAZOLE molecular structure lightbox
CAS RN: 885521-84-6

3,6-DIBROMO (1H)INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885521-84-6
  • Purity/Analytical Methods: >99.0%
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885521-84-6 / 3,6-dibromo-2H-indazole

Standard CAS: 885521-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885521-84-6
Multi CAS
No
Molecular Formula
C7H4BR2N2
Molecular Weight
275.930000
Exact Mass
275.872070
InChI
InChI=1S/C7H4Br2N2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
InChIKey
UZVUZQPJNJJVJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.49
TPSA
28.68

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

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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