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CAS 1227270-38-3 Methyl 5-fluoro-1H-indazole-6-carboxylate molecular structure lightbox
CAS RN: 1227270-38-3

Methyl 5-fluoro-1H-indazole-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025896
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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: ≥97%
  • 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 1227270-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1227270-38-3 / methyl 5-fluoro-1H-indazole-6-carboxylate

Standard CAS: 1227270-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227270-38-3
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
COC(=O)C1=C(C=C2C=NNC2=C1)F
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)
InChIKey
ZTOQQKWNYMVOFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.39
TPSA
54.98

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

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

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