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CAS 1283176-56-6 tert-butyl 2-methoxy-6-nitrophenylcarbamate molecular structure lightbox
CAS RN: 1283176-56-6

tert-butyl 2-methoxy-6-nitrophenylcarbamate

  • Product code: SSC-035631
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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, 5g, 0.25g, 0.1g
  • Available purity: ≥95%
  • 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 1283176-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1283176-56-6 / tert-butyl N-(2-methoxy-6-nitrophenyl)carbamate

Standard CAS: 1283176-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283176-56-6
Multi CAS
No
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(15)13-10-8(14(16)17)6-5-7-9(10)18-4/h5-7H,1-4H3,(H,13,15)
InChIKey
ZUUDBYPDZQDJOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.51
TPSA
90.7

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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