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CAS 942492-09-3 6-NITRO-(1S,4R)-1,2,3,4-TETRAHYDRO-1,4-EPIAZANO-NAPHTHALENE-9-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 942492-09-3

6-NITRO-(1S,4R)-1,2,3,4-TETRAHYDRO-1,4-EPIAZANO-NAPHTHALENE-9-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-208908
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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: 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 942492-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry

942492-09-3 / tert-butyl 4-nitro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylate

Standard CAS: 942492-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942492-09-3
Multi CAS
Yes
Molecular Formula
C15H18N2O4
Molecular Weight
290.310000
Exact Mass
290.126657
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(18)16-12-6-7-13(16)11-8-9(17(19)20)4-5-10(11)12/h4-5,8,12-13H,6-7H2,1-3H3
InChIKey
QISHSLGQRNLFBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
75.89
TPSA
72.68

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
2.6
Consensus LogP
3.2
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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