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 |
182159-60-0 / 6-(aminomethyl)pyridine-3-carboxamide;hydrochloride
Basic Information
CAS
182159-60-0
Multi CAS
No
Molecular Formula
C7H10ClN3O
Molecular Weight
187.630000
Exact Mass
187.051240
SMILES
C1=CC(=NC=C1C(=O)N)CN.Cl
InChI
InChI=1S/C7H9N3O.ClH/c8-3-6-2-1-5(4-10-6)7(9)11;/h1-2,4H,3,8H2,(H2,9,11);1H
InChIKey
SPHKKWXKCJHEHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.89
TPSA
82
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
0.06
Consensus LogP
0.06
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.82
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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![CAS 182181-19-7 6-CHLOROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182181-19-7.gif)
![CAS 182181-25-5 6-CHLORO-2-(CHLOROMETHYL)IMIDAZO[1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182181-25-5.gif)
