CAS 39830-66-5 Methyl Indole-4-carboxylate molecular structure

lightbox

CAS RN: 39830-66-5

Methyl Indole-4-carboxylate

Product code: SSC-147583

GET A QUOTE

Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 1g, 5g, 10g, 25g, 100g
Available purity: ≥98%
Inventory rows with stock: 1
Bulk packaging: confirmed by inquiry

Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39830-66-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥98%	5 In Stock	Beijing	Inquiry
5g	≥98%	0 Out of Stock	Shanghai	Inquiry
10g	≥98%	0 Out of Stock	Shenzhen	Inquiry
25g	≥98%	0 Out of Stock	Shenzhen	Inquiry
100g	≥98%	0 Out of Stock	Beijing	Inquiry

39830-66-5 / methyl 1H-indole-4-carboxylate

Standard CAS: 39830-66-5 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

39830-66-5

Multi CAS

Yes

Molecular Formula

C10H9NO2

Molecular Weight

175.180000

Exact Mass

175.063329

InChI

InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3

InChIKey

WEAXQUBYRSEBJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

49.64

TPSA

42.09

LogP / Solubility

WLOGP

1.95

MLOGP

1.72

XLogP3

1.6

Consensus LogP

1.76

Log S (ESOL)

-2.6

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.41

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.54

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.4

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 39830-66-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 39830-66-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

methyl 1H-indole-4-carboxylate

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: 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 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.