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CAS 59832-12-1 1-NITRO-1-METHYL-2-NAPHTYLETHENE molecular structure lightbox
CAS RN: 59832-12-1

1-NITRO-1-METHYL-2-NAPHTYLETHENE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-168397
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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 59832-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59832-12-1 / 2-(2-nitroprop-1-enyl)naphthalene

Standard CAS: 59832-12-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59832-12-1
Multi CAS
Yes
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
InChI
InChI=1S/C13H11NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-9H,1H3/b10-8+
InChIKey
DTZVIBZSHDZFPP-CSKARUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.59
TPSA
43.14

LogP / Solubility

WLOGP
3.48
MLOGP
3.06
XLogP3
3.8
Consensus LogP
3.45
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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