CAS RN: 876717-56-5
2-(4-METHYL-PIPERAZIN-1-YL)-ISONICOTINIC ACID
- Product code: SSC-197875
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
876717-56-5 / 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
Basic Information
CAS
876717-56-5
Multi CAS
No
Molecular Formula
C11H15N3O2
Molecular Weight
221.260000
Exact Mass
221.116427
InChI
InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKey
OXVRAMAPGBJUBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.91
TPSA
56.67
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
-1.6
Consensus LogP
-0.2
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.69
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
-
5-METHYL-3-M-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID
- CAS RN: 876717-65-6
- Product Code: SSC-197876
-
2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID
- CAS RN: 876718-01-3
- Product Code: starshine_CAS876718-01-3
- Purity/Analytical method: >99.0%
-
2-ethynyl-9,9-dimethyl-9H-fluorene
- CAS RN: 876726-86-2
- Product Code: starshine_CAS876726-86-2
- Purity/Analytical method: >99.0%
-
(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHYLAMINE
- CAS RN: 876728-39-1
- Product Code: starshine_CAS876728-39-1
- Purity/Analytical method: >99.0%
-
[5-(2-FURYL)-1-METHYL-1H-PYRAZOL-3-YL]METHANOL
- CAS RN: 876728-41-5
- Product Code: starshine_CAS876728-41-5
- Purity/Analytical method: >99.0%
-
![CAS 876728-41-5 [5-(2-FURYL)-1-METHYL-1H-PYRAZOL-3-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876728-41-5.gif)
