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CAS 23772-38-5 5-Methoxy-6-nitro-2,3-dihydro-1H-indole molecular structure lightbox
CAS RN: 23772-38-5

5-Methoxy-6-nitro-2,3-dihydro-1H-indole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 100mg In stock Shanghai Inquiry
Batchno.20250427 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250814 1g In stock Shanghai Inquiry
Batchno.20250410 250mg In stock Shanghai Inquiry
Batchno.20250224 5g In stock Shanghai Inquiry
  • Product code: SSC-115627
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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 23772-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23772-38-5 / 5-methoxy-6-nitro-2,3-dihydro-1H-indole

Standard CAS: 23772-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23772-38-5
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
SMILES
COC1=C(C=C2C(=C1)CCN2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-14-9-4-6-2-3-10-7(6)5-8(9)11(12)13/h4-5,10H,2-3H2,1H3
InChIKey
XTJWZASEAYSGRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.84
TPSA
64.4

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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