CAS RN: 149968-28-5
2-Butyl-4-chloro-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 | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-059916
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 | Shanghai | Inquiry |
149968-28-5 / 2-butyl-5-chloro-1H-imidazole-4-carboxylic acid
Basic Information
CAS
149968-28-5
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
CCCCC1=NC(=C(N1)Cl)C(=O)O
InChI
InChI=1S/C8H11ClN2O2/c1-2-3-4-5-10-6(8(12)13)7(9)11-5/h2-4H2,1H3,(H,10,11)(H,12,13)
InChIKey
FETCESOEGZHHTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.17
TPSA
65.98
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
- CAS RN: 149978-42-7
- Product Code: SSC-059928
-
2-Methyl-5-trifluoroMethyl-2H-pyrazol-3-ylaMine
- CAS RN: 149978-43-8
- Product Code: SSC-059929
-
5-Amino-1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-4-carbonitrile
- CAS RN: 149978-57-4
- Product Code: SSC-059930
-
6′,2”]Terpyridine-6,6”-dicarboxylic acid
- CAS RN: 149982-11-6
- Product Code: starshine_CAS149982-11-6
- Purity/Analytical method: >99.0%
-
DMT-2’O-TBDMS-RA(TAC) AMIDITE 0.5G AB
- CAS RN: 149989-64-0
- Product Code: starshine_CAS149989-64-0
- Purity/Analytical method: >99.0%
![CAS 149978-57-4 5-Amino-1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1H-pyrazole-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149978-57-4.gif)
![CAS 149982-11-6 6′,2”]Terpyridine-6,6”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149982-11-6.gif)
