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, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
20605-43-0 / phenyl N-aminocarbamate
Basic Information
CAS
20605-43-0
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
C1=CC=C(C=C1)OC(=O)NN
InChI
InChI=1S/C7H8N2O2/c8-9-7(10)11-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
DNDTZRSLSJSECH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.79
TPSA
64.35
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.57
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.19
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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