CAS RN: 6138-41-6
Trigonelline Hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250813 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250628 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250419 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: ICTT1429
- Purity/Analytical Methods: >98.0%(T)(HPLC)
6138-41-6 / 1-methylpyridin-1-ium-3-carboxylic acid chloride
Basic Information
CAS
6138-41-6
Multi CAS
Yes
Molecular Formula
C7H8CLNO2
Molecular Weight
173.600000
Exact Mass
173.024356
InChI
InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
InChIKey
TZSYLWAXZMNUJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.58
TPSA
41.18
LogP / Solubility
WLOGP
-2.79
MLOGP
-2.46
XLogP3
-2.79
Consensus LogP
-2.68
Log S (ESOL)
0.5
Class (ESOL)
Highly soluble
Log S (Ali)
1.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.4
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
