![CAS 479080-20-1 Carbamic acid, [(2Z)-2-(hydroxyamino)-2-iminoethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/479080-20-1.gif)
CAS RN: 479080-20-1
Carbamic acid, [(2Z)-2-(hydroxyamino)-2-iminoethyl]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS479080-20-1
- Purity/Analytical Methods: >99.0%
479080-20-1 / tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate
Basic Information
CAS
479080-20-1
Multi CAS
Yes
Molecular Formula
C7H15N3O3
Molecular Weight
189.210000
Exact Mass
189.111341
InChI
InChI=1S/C7H15N3O3/c1-7(2,3)13-6(11)9-4-5(8)10-12/h12H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKey
HPWSTQITVJEUMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
47.65
TPSA
96.94
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
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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