CAS RN: 5315-87-7
4-NP-SCA
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.20250505 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5315-87-7
- Purity/Analytical Methods: >99.0%
5315-87-7 / [(4-nitrophenyl)methylideneamino]urea
Basic Information
CAS
5315-87-7
Multi CAS
Yes
Molecular Formula
C8H8N4O3
Molecular Weight
208.170000
Exact Mass
208.059640
InChI
InChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H3,9,11,13)/b10-5+
InChIKey
PMJVNUNOOIWGHN-BJMVGYQFSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.41
TPSA
110.62
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
1.3
Consensus LogP
0.81
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5317-15-7
- Product Code: SSC-160368
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