CAS RN: 1005785-85-2
5-terbutylpieolinic acid
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.20251126 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-001183
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 | Shenzhen | Inquiry |
1005785-85-2 / 5-tert-butylpyridine-2-carboxylic acid
5-(tert-Butyl)picolinic acid | 5-TERT-BUTYLPYRIDINE-2-CARBOXYLIC ACID | 5-TERT-BUTYLPICOLINIC ACID
Basic Information
CAS
1005785-85-2
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CC(C)(C)C1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-8(9(12)13)11-6-7/h4-6H,1-3H3,(H,12,13)
InChIKey
BWSHOYXWNFLBBR-UHFFFAOYSA-N
Synonyms
5-(tert-Butyl)picolinic acid
5-TERT-BUTYLPYRIDINE-2-CARBOXYLIC ACID
5-TERT-BUTYLPICOLINIC ACID
2-Pyridinecarboxylic acid, 5-(1,1-dimethylethyl)-
MFCD15526816
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.9
TPSA
50.19
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.34
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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