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CAS 34087-02-0 4-Nitronaphthalene-1,8-dicarboxylic anhydride molecular structure lightbox
CAS RN: 34087-02-0

4-Nitronaphthalene-1,8-dicarboxylic anhydride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS34087-02-0
  • Purity/Analytical Methods: >99.0%
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34087-02-0 / 8-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

Standard CAS: 34087-02-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34087-02-0
Multi CAS
Yes
Molecular Formula
C12H5NO5
Molecular Weight
243.170000
Exact Mass
243.016772
InChI
InChI=1S/C12H5NO5/c14-11-7-3-1-2-6-4-5-8(13(16)17)10(9(6)7)12(15)18-11/h1-5H
InChIKey
QLYSDTXUBZEOII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
60.35
TPSA
86.51

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-2.74

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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