![CAS 1251003-11-8 IMidazo[1,5-a]pyriMidine-8-carboxylic acid, 3-broMo-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-11-8.gif)
CAS RN: 1251003-11-8
IMidazo[1,5-a]pyriMidine-8-carboxylic acid, 3-broMo-, ethyl ester
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.20250107 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251003-11-8
- Purity/Analytical Methods: >99.0%
1251003-11-8 / ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate
Basic Information
CAS
1251003-11-8
Multi CAS
No
Molecular Formula
C9H8BrN3O2
Molecular Weight
270.080000
Exact Mass
268.979990
SMILES
CCOC(=O)C1=C2N=CC(=CN2C=N1)Br
InChI
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3
InChIKey
FTBIIQQYFCUUKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
56.64
TPSA
56.49
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
2.4
Consensus LogP
1.85
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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