CAS RN: 73590-93-9
2-(Chloromethyl)-3,5-dimethylpyridine hydrochloride
- Product code: SSC-183016
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
73590-93-9 / 2-(chloromethyl)-3,5-dimethylpyridine;hydrochloride
Basic Information
CAS
73590-93-9
Multi CAS
No
Molecular Formula
C8H11CL2N
Molecular Weight
192.080000
Exact Mass
191.026855
InChI
InChI=1S/C8H10ClN.ClH/c1-6-3-7(2)8(4-9)10-5-6;/h3,5H,4H2,1-2H3;1H
InChIKey
KTCKCIHKYBTWLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.52
TPSA
12.89
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.86
Consensus LogP
2.75
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-1.86
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
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