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CAS 1352393-64-6 Methyl 4-Bromo-3-chloro-indole-6-carboxylate molecular structure lightbox
CAS RN: 1352393-64-6

Methyl 4-Bromo-3-chloro-indole-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 1g Out of stock 15 business days Inquiry
  • Product code: SSC-043255
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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 1352393-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1352393-64-6 / methyl 4-bromo-3-chloro-1H-indole-6-carboxylate

Standard CAS: 1352393-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352393-64-6
Multi CAS
No
Molecular Formula
C10H7BrClNO2
Molecular Weight
288.520000
Exact Mass
286.934870
SMILES
COC(=O)C1=CC2=C(C(=C1)Br)C(=CN2)Cl
InChI
InChI=1S/C10H7BrClNO2/c1-15-10(14)5-2-6(11)9-7(12)4-13-8(9)3-5/h2-4,13H,1H3
InChIKey
SQCVWVHBNZAYRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.35
TPSA
42.09

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly 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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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