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CAS 1016-36-0 ETHYL 5-FLUORO-1H-INDAZOLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 1016-36-0

ETHYL 5-FLUORO-1H-INDAZOLE-3-CARBOXYLATE

  • Product code: SSC-002424
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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 1016-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1016-36-0 / ethyl 5-fluoro-1H-indazole-3-carboxylate

ETHYL 5-FLUORO-1H-INDAZOLE-3-CARBOXYLATE | MFCD07371577 | 5-fluoro-1H-indazole-3-carboxylic acid ethyl ester

Standard CAS: 1016-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016-36-0
Multi CAS
No
Molecular Formula
C10H9FN2O2
Molecular Weight
208.190000
Exact Mass
208.064806
SMILES
CCOC(=O)C1=NNC2=C1C=C(C=C2)F
InChI
InChI=1S/C10H9FN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
InChIKey
LLPYNEVKCQMQBK-UHFFFAOYSA-N
Synonyms
ETHYL 5-FLUORO-1H-INDAZOLE-3-CARBOXYLATE MFCD07371577 5-fluoro-1H-indazole-3-carboxylic acid ethyl ester 1H-Indazole-3-carboxylic acid, 5-fluoro-, ethyl ester Ethyl5-fluoro-1H-indazole-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.01
TPSA
54.98

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
2.2
Consensus LogP
1.91
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

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

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