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CAS 762288-06-2 Methyl 5-chloro-2-methyl-1H-indole-3-carboxylate molecular structure lightbox
CAS RN: 762288-06-2

Methyl 5-chloro-2-methyl-1H-indole-3-carboxylate

  • Product code: SSC-185675
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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: ＞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 762288-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

762288-06-2 / methyl 5-chloro-2-methyl-1H-indole-3-carboxylate

Standard CAS: 762288-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
762288-06-2
Multi CAS
No
Molecular Formula
C11H10CLNO2
Molecular Weight
223.650000
Exact Mass
223.040006
InChI
InChI=1S/C11H10ClNO2/c1-6-10(11(14)15-2)8-5-7(12)3-4-9(8)13-6/h3-5,13H,1-2H3
InChIKey
KIDKWAXCVMNPDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.39
TPSA
42.09

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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