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CAS 1000342-37-9 4-CHLORO-5-IODO (1H)INDAZOLE molecular structure lightbox
CAS RN: 1000342-37-9

4-CHLORO-5-IODO (1H)INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1000342-37-9
  • Purity/Analytical Methods: >99.0%
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1000342-37-9 / 4-chloro-5-iodo-1H-indazole

4-chloro-5-iodo-1H-indazole | 1000342-37-9 | 4-Chloro-5-iodo (1H)indazole

Standard CAS: 1000342-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000342-37-9
Multi CAS
No
Molecular Formula
C7H4ClIN2
Molecular Weight
278.480000
Exact Mass
277.910770
SMILES
C1=CC(=C(C2=C1NN=C2)Cl)I
InChI
InChI=1S/C7H4ClIN2/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,(H,10,11)
InChIKey
YJBOYUUJTXXCHY-UHFFFAOYSA-N
Synonyms
4-chloro-5-iodo-1H-indazole 1000342-37-9 4-Chloro-5-iodo (1H)indazole 1H-Indazole, 4-chloro-5-iodo- MFCD09880012

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
28.68

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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