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: 100g, 25g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
628-13-7 / pyridine;hydrochloride
Basic Information
CAS
628-13-7
Multi CAS
Yes
Molecular Formula
C5H6CLN
Molecular Weight
115.560000
Exact Mass
115.018877
InChI
InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
InChIKey
AOJFQRQNPXYVLM-UHFFFAOYSA-N
Physical Properties
Physical Description
White solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.48
TPSA
12.89
LogP / Solubility
WLOGP
1.5
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
