CAS 186704-03-0 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE molecular structure

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CAS RN: 186704-03-0

1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250221	100mg / 250mg / 1g	Out of stock	8-10 business days	Inquiry

Product code: SSC-086789

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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 186704-03-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

186704-03-0 / 1-O-tert-butyl 2-O-methyl 2,3-dihydroindole-1,2-dicarboxylate

Standard CAS: 186704-03-0 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

186704-03-0

Multi CAS

Molecular Formula

C15H19NO4

Molecular Weight

277.310000

Exact Mass

277.131408

SMILES

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-8,12H,9H2,1-4H3

InChIKey

JWTYDRKOSWALHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.47

Rotatable bonds

H-bond acceptors

Molar refractivity

74.66

TPSA

55.84

LogP / Solubility

WLOGP

2.53

MLOGP

2.23

XLogP3

2.7

Consensus LogP

2.49

Log S (ESOL)

-3.31

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.66

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.68

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.62

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE

Product Availability

Historical Supply Reference

Reference Pack Sizes

186704-03-0 / 1-O-tert-butyl 2-O-methyl 2,3-dihydroindole-1,2-dicarboxylate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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