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CAS 1082040-43-4 6-Fluoro-1H-indole-4-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1082040-43-4

6-Fluoro-1H-indole-4-carboxylic acid methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-009416
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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, 5g
  • 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 1082040-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1082040-43-4 / methyl 6-fluoro-1H-indole-4-carboxylate

6-Fluoro-1H-indole-4-carboxylic acid methyl ester | RefChem:543087 | 812-987-2

Standard CAS: 1082040-43-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1082040-43-4
Multi CAS
Yes
Molecular Formula
C10H8FNO2
Molecular Weight
193.170000
Exact Mass
193.053907
SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)F
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChIKey
CKFPLBCOOZCPOR-UHFFFAOYSA-N
Synonyms
6-Fluoro-1H-indole-4-carboxylic acid methyl ester RefChem:543087 812-987-2 Methyl 6-fluoro-1H-indole-4-carboxylate MFCD11845444

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.6
TPSA
42.09

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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