[email protected]
CAS 1000341-88-7 1H-Indazole,7-broMo-4-chloro- molecular structure lightbox
CAS RN: 1000341-88-7

1H-Indazole,7-broMo-4-chloro-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1000341-88-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1000341-88-7 / 7-bromo-4-chloro-1H-indazole

7-BROMO-4-CHLORO-1H-INDAZOLE | 1000341-88-7 | 1H-INDAZOLE, 7-BROMO-4-CHLORO-

Standard CAS: 1000341-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000341-88-7
Multi CAS
Yes
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=CC(=C2C(=C1Cl)C=NN2)Br
InChI
InChI=1S/C7H4BrClN2/c8-5-1-2-6(9)4-3-10-11-7(4)5/h1-3H,(H,10,11)
InChIKey
RFKZBMLAMVPTOP-UHFFFAOYSA-N
Synonyms
7-BROMO-4-CHLORO-1H-INDAZOLE 1000341-88-7 1H-INDAZOLE, 7-BROMO-4-CHLORO- MFCD09749923 SCHEMBL23478332

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us