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CAS 101861-63-6 4,6-Dichloro-1H-indole-2-carboxylic acid molecular structure lightbox
CAS RN: 101861-63-6

4,6-Dichloro-1H-indole-2-carboxylic acid

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 1g In stock Inquiry
Batchno.20250729 250mg In stock Inquiry
Batchno.20250306 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002902
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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: ≥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 101861-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

101861-63-6 / 4,6-dichloro-1H-indole-2-carboxylic acid

4,6-dichloro-1H-indole-2-carboxylic acid | DTXSID80144299 | RefChem:507951

Standard CAS: 101861-63-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101861-63-6
Multi CAS
Yes
Molecular Formula
C9H5Cl2NO2
Molecular Weight
230.040000
Exact Mass
228.969734
SMILES
C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
InChIKey
DHXISZKSSIWRLH-UHFFFAOYSA-N
Synonyms
4,6-dichloro-1H-indole-2-carboxylic acid DTXSID80144299 RefChem:507951 DTXCID5066790 675-892-3

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
55.28
TPSA
53.09

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.2
Consensus LogP
3.06
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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