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CAS 89660-17-3 Ethyl (6-Chloro-2-nitro-3-pyridyl)(methyl)carbamate molecular structure lightbox
CAS RN: 89660-17-3

Ethyl (6-Chloro-2-nitro-3-pyridyl)(methyl)carbamate

  • Product code: SSC-201698
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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: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 89660-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry

89660-17-3 / ethyl N-[(6-chloro-2-nitro-3-pyridinyl)methyl]carbamate

Standard CAS: 89660-17-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89660-17-3
Multi CAS
Yes
Molecular Formula
C9H10CLN3O4
Molecular Weight
259.640000
Exact Mass
259.035984
InChI
InChI=1S/C9H10ClN3O4/c1-3-17-9(14)12(2)6-4-5-7(10)11-8(6)13(15)16/h4-5H,3H2,1-2H3
InChIKey
ADDHMOVDMXAUPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.76
TPSA
94.36

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-2.96

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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