CAS RN: 105985-21-5
2-Chloro-5-(chloromethyl)pyrazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: LINC899292
105985-21-5 / 2-chloro-5-(chloromethyl)pyrazine
2-Chloro-5-(chloromethyl)pyrazine | DTXSID30618137 | RefChem:258883
Basic Information
CAS
105985-21-5
Multi CAS
No
Molecular Formula
C5H4Cl2N2
Molecular Weight
163.000000
Exact Mass
161.975154
SMILES
C1=C(N=CC(=N1)Cl)CCl
InChI
InChI=1S/C5H4Cl2N2/c6-1-4-2-9-5(7)3-8-4/h2-3H,1H2
InChIKey
DDANOIXIDZPEDM-UHFFFAOYSA-N
Synonyms
2-Chloro-5-(chloromethyl)pyrazine
DTXSID30618137
RefChem:258883
DTXCID40568891
898-538-1
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.6
TPSA
25.78
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.1
Consensus LogP
1.54
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.39
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
