CAS RN: 63412-06-6
MNB
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250722 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS63412-06-6
- Purity/Analytical Methods: >99.0%
63412-06-6 / N-methyl-N-nitrosobenzamide
Basic Information
CAS
63412-06-6
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
InChI
InChI=1S/C8H8N2O2/c1-10(9-12)8(11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
SLTNUKIKMOOUID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.33
TPSA
49.74
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
0.3
Consensus LogP
1
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.7
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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