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CAS 885278-50-2 ETHYL 5,6-DICHLORO-1H-INDAZOLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 885278-50-2

ETHYL 5,6-DICHLORO-1H-INDAZOLE-3-CARBOXYLATE

  • Product code: SSC-199396
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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: 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 885278-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

885278-50-2 / ethyl 5,6-dichloro-1H-indazole-3-carboxylate

Standard CAS: 885278-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885278-50-2
Multi CAS
No
Molecular Formula
C10H8CL2N2O2
Molecular Weight
259.090000
Exact Mass
257.996283
InChI
InChI=1S/C10H8Cl2N2O2/c1-2-16-10(15)9-5-3-6(11)7(12)4-8(5)13-14-9/h3-4H,2H2,1H3,(H,13,14)
InChIKey
MKKNPJJTJQQKJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.07
TPSA
54.98

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
3.4
Consensus LogP
3.05
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-2.14

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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