CAS RN: 1547005-30-0
1-Cyclobutyl-1H-imidazole-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250321 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1547005-30-0
- Purity/Analytical Methods: >99.0%
1547005-30-0 / 3-cyclobutylimidazole-4-carboxylic acid
Basic Information
CAS
1547005-30-0
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
C1CC(C1)N2C=NC=C2C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)7-4-9-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKey
ABFSGEVJRFRVHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.07
TPSA
55.12
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
0.7
Consensus LogP
1.05
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-Methyl-5-(Trifluoromethyl)-4H-1,2,4-Triazol-3-Amine
- CAS RN: 1547010-07-0
- Product Code: SSC-064038
-
-
7-Chloro-1-methyl-1H-pyrrolo[3,2-b]pyridine
- CAS RN: 1547041-34-8
- Product Code: starshine_CAS1547041-34-8
- Purity/Analytical method: >99.0%
-
tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate
- CAS RN: 1547059-89-1
- Product Code: SSC-064058
-
3-(trifluoromethyl)cyclopentane-1-carboxylic acid
- CAS RN: 1547061-05-1
- Product Code: SSC-064059
-
Cyclobutanecarboxylic acid, 3-fluoro-, methyl ester
- CAS RN: 1547065-03-1
- Product Code: SSC-064062
![CAS 1547041-34-8 7-Chloro-1-methyl-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1547041-34-8.gif)
![CAS 1547059-89-1 tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1547059-89-1.gif)
