CAS RN: 54660-12-7
IFLAB-BB F2124-0138
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.20250202 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54660-12-7
- Purity/Analytical Methods: >99.0%
54660-12-7 / 6-chloro-N,N-dimethyl-5-nitropyrimidin-4-amine
Basic Information
CAS
54660-12-7
Multi CAS
No
Molecular Formula
C6H7CLN4O2
Molecular Weight
202.600000
Exact Mass
202.025753
InChI
InChI=1S/C6H7ClN4O2/c1-10(2)6-4(11(12)13)5(7)8-3-9-6/h3H,1-2H3
InChIKey
RIZZEVDOTSTXCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.02
TPSA
72.16
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.4
Consensus LogP
1.16
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.17
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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