![CAS 69614-04-6 (S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69614-04-6.gif)
CAS RN: 69614-04-6
(S)-methyl 5-oxo-5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine-7-carboxylate
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.20260507 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69614-04-6
- Purity/Analytical Methods: >99.0%
69614-04-6 / methyl 5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
Basic Information
CAS
69614-04-6
Multi CAS
Yes
Molecular Formula
C8H9N3O3
Molecular Weight
195.180000
Exact Mass
195.064391
InChI
InChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)
InChIKey
MSWBJDHMQDISQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.66
TPSA
73.22
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.3
Consensus LogP
-0.39
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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