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CAS 16792-45-3 ETHYL 6-NITRO-1H-INDOLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 16792-45-3

ETHYL 6-NITRO-1H-INDOLE-2-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-073232
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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: ≥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 16792-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

16792-45-3 / ethyl 6-nitro-1H-indole-2-carboxylate

Standard CAS: 16792-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16792-45-3
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3
InChIKey
SOMZLSPJSSDTAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.91
TPSA
85.23

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
3
Consensus LogP
2.41
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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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