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CAS 10517-21-2 5-Chloroindole-2-carboxylic Acid molecular structure lightbox
CAS RN: 10517-21-2

5-Chloroindole-2-carboxylic Acid

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 1ml In stock Inquiry
  • Product code: SSC-006894
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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: 25g, 100g
  • 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 10517-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

10517-21-2 / 5-chloro-1H-indole-2-carboxylic acid

5-Chloroindole-2-carboxylic acid | 5-Chloro-1H-indole-2-carboxylic acid | 5-Chloroindole-2-carboxylate

Standard CAS: 10517-21-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10517-21-2
Multi CAS
Yes
Molecular Formula
C9H6ClNO2
Molecular Weight
195.600000
Exact Mass
195.008706
SMILES
C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O
InChI
InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey
FUQOTYRCMBZFOL-UHFFFAOYSA-N
Synonyms
5-Chloroindole-2-carboxylic acid 5-Chloro-1H-indole-2-carboxylic acid 5-Chloroindole-2-carboxylate 1H-Indole-2-carboxylic acid, 5-chloro- NSC-75651

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.27
TPSA
53.09

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.9
Consensus LogP
2.55
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.12

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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