CAS RN: 92491-67-3
N’-(4-NITRO-PHENYL)-HYDRAZINECARBOXYLIC ACID TERT-BUTYL 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.20250610 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS92491-67-3
- Purity/Analytical Methods: >99.0%
92491-67-3 / tert-butyl N-amino-N-(4-nitrophenyl)carbamate
Basic Information
CAS
92491-67-3
Multi CAS
Yes
Molecular Formula
C11H15N3O4
Molecular Weight
253.250000
Exact Mass
253.106256
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(15)13-12-8-4-6-9(7-5-8)14(16)17/h4-7,12H,1-3H3,(H,13,15)
InChIKey
JGHNMFQIFLJPRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66
TPSA
98.7
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.7
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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