CAS RN: 13010-20-3
N-NITROSOUREA
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 10mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13010-20-3
- Purity/Analytical Methods: >99.0%
13010-20-3 / nitrosourea
Basic Information
CAS
13010-20-3
Multi CAS
No
Molecular Formula
CH3N3O2
Molecular Weight
89.050000
Exact Mass
89.022526
SMILES
C(=O)(N)NN=O
InChI
InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)
InChIKey
OSTGTTZJOCZWJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
18.51
TPSA
84.55
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.6
XLogP3
-0.8
Consensus LogP
-0.69
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.73
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
Safety & Transport
Pictogram(s)
Acute Toxic
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]
H350 (100%): May cause cancer [Danger Carcinogenicity]
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501
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