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CAS 1190314-35-2 5,7-DiMethyl-4-nitro indole molecular structure lightbox
CAS RN: 1190314-35-2

5,7-DiMethyl-4-nitro indole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019352
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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 1190314-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1190314-35-2 / 5,7-dimethyl-4-nitro-1H-indole

5,7-dimethyl-4-nitro-1H-indole | 5,7-Dimethyl-4-nitro indole | 1H-Indole, 5,7-dimethyl-4-nitro-

Standard CAS: 1190314-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190314-35-2
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC1=CC(=C(C2=C1NC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C10H10N2O2/c1-6-5-7(2)10(12(13)14)8-3-4-11-9(6)8/h3-5,11H,1-2H3
InChIKey
MTODENNQRUCIFR-UHFFFAOYSA-N
Synonyms
5,7-dimethyl-4-nitro-1H-indole 5,7-Dimethyl-4-nitro indole 1H-Indole, 5,7-dimethyl-4-nitro- MFCD12962569 SCHEMBL15364938

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.43
TPSA
58.93

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-1.97

Drug-likeness / Medicinal Chemistry

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

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