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CAS 111258-23-2 METHYL 4-METHOXY-2-INDOLECARBOXYLATE molecular structure lightbox
CAS RN: 111258-23-2

METHYL 4-METHOXY-2-INDOLECARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012085
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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, 10g
  • 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 111258-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

111258-23-2 / methyl 4-methoxy-1H-indole-2-carboxylate

methyl 4-methoxy-1H-indole-2-carboxylate | DTXSID60350811 | RefChem:355760

Standard CAS: 111258-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111258-23-2
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
COC1=CC=CC2=C1C=C(N2)C(=O)OC
InChI
InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKey
GLCZQTLCVLVFGV-UHFFFAOYSA-N
Synonyms
methyl 4-methoxy-1H-indole-2-carboxylate DTXSID60350811 RefChem:355760 DTXCID10301878 Methyl 4-methoxy-2-indolecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.19
TPSA
51.32

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2.4
Consensus LogP
2.03
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.58

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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