![CAS 1083282-02-3 IMidazo[1,5-a]pyriMidine-8-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083282-02-3.gif)
CAS RN: 1083282-02-3
IMidazo[1,5-a]pyriMidine-8-carboxylic acid
- Product code: SSC-009713
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1083282-02-3 / imidazo[1,5-a]pyrimidine-8-carboxylic acid
imidazo[1,5-a]pyrimidine-8-carboxylic acid | IMIDAZO[1,5-A]PYRIMIDINE-8-CARBOXYLICACID | SCHEMBL22835753
Basic Information
CAS
1083282-02-3
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CN2C=NC(=C2N=C1)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-6-8-2-1-3-10(6)4-9-5/h1-4H,(H,11,12)
InChIKey
WXRSEUXBXNDCKE-UHFFFAOYSA-N
Synonyms
imidazo[1,5-a]pyrimidine-8-carboxylic acid
IMIDAZO[1,5-A]PYRIMIDINE-8-CARBOXYLICACID
SCHEMBL22835753
MFCD26937975
SY278096
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.95
TPSA
67.49
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
1
Consensus LogP
0.6
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.41
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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