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CAS 159873-64-0 1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol molecular structure lightbox
CAS RN: 159873-64-0

1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1g In stock Inquiry
Batchno.20250830 250mg In stock Inquiry
Batchno.20260514 25g Out of stock Inquiry
Batchno.20250131 50mg In stock Inquiry
Batchno.20260210 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067859
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159873-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Shanghai Inquiry

159873-64-0 / 1-(6-nitro-1,3-benzodioxol-5-yl)ethanol

Standard CAS: 159873-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159873-64-0
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
SMILES
CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O
InChI
InChI=1S/C9H9NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3,5,11H,4H2,1H3
InChIKey
UHJMDARCOIYCHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.85
TPSA
81.83

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

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
2

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