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CAS 71987-67-2 (5-FLUORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 71987-67-2

(5-FLUORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 1g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-181496
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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 71987-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

71987-67-2 / 2-(5-fluoro-2-methyl-1H-indol-3-yl)acetic acid

Standard CAS: 71987-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71987-67-2
Multi CAS
No
Molecular Formula
C11FH10NO2
Molecular Weight
207.200000
Exact Mass
207.069557
InChI
InChI=1S/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
VJZAMNBVIWOUJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.33
TPSA
53.09

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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