CAS RN: 6630-66-6
CHEMBRDG-BB 4004177
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.20251021 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6630-66-6
- Purity/Analytical Methods: >99.0%
6630-66-6 / 2-amino-6-methylpyrimidine-4-carboxylic acid
Basic Information
CAS
6630-66-6
Multi CAS
Yes
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
InChI
InChI=1S/C6H7N3O2/c1-3-2-4(5(10)11)9-6(7)8-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
RBPODCKCNCOCMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.14
TPSA
89.1
LogP / Solubility
WLOGP
0.07
MLOGP
0.05
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 6631-22-7 N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6631-22-7.gif)
