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CAS 5843-43-6 PHENYL ISOCYANATOFORMATE molecular structure lightbox
CAS RN: 5843-43-6

PHENYL ISOCYANATOFORMATE

  • Product code: SSC-166666
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 5843-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

5843-43-6 / phenyl N-(oxomethylidene)carbamate

Standard CAS: 5843-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5843-43-6
Multi CAS
No
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
InChI
InChI=1S/C8H5NO3/c10-6-9-8(11)12-7-4-2-1-3-5-7/h1-5H
InChIKey
FSZKLYCUEQGCKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.59
TPSA
55.73

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
2.9
Consensus LogP
1.92
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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