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CAS 163083-65-6 1H-Indole-3-carboxylic acid, 6-Methyl-, Methyl ester molecular structure lightbox
CAS RN: 163083-65-6

1H-Indole-3-carboxylic acid, 6-Methyl-, Methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070720
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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: 5g
  • 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 163083-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

163083-65-6 / methyl 6-methyl-1H-indole-3-carboxylate

Standard CAS: 163083-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163083-65-6
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
CC1=CC2=C(C=C1)C(=CN2)C(=O)OC
InChI
InChI=1S/C11H11NO2/c1-7-3-4-8-9(11(13)14-2)6-12-10(8)5-7/h3-6,12H,1-2H3
InChIKey
NJLDFQYDDBCJGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.38
TPSA
42.09

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.9
Consensus LogP
2.38
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.27

Drug-likeness / Medicinal Chemistry

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

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