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CAS 1000343-62-3 4-NITRO-6-INDOLECARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 1000343-62-3

4-NITRO-6-INDOLECARBOXYLIC ACID METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000165
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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 1000343-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1000343-62-3 / methyl 4-nitro-1H-indole-6-carboxylate

1000343-62-3 | methyl 4-nitro-1H-indole-6-carboxylate | 4-Nitro-6-indolecarboxylic acid methyl ester

Standard CAS: 1000343-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000343-62-3
Multi CAS
No
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
SMILES
COC(=O)C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c1-16-10(13)6-4-8-7(2-3-11-8)9(5-6)12(14)15/h2-5,11H,1H3
InChIKey
IFOFOPSZBXKRAG-UHFFFAOYSA-N
Synonyms
1000343-62-3 methyl 4-nitro-1H-indole-6-carboxylate 4-Nitro-6-indolecarboxylic acid methyl ester MFCD09880080 1H-Indole-6-carboxylic acid, 4-nitro-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.29
TPSA
85.23

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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