CAS RN: 1255099-26-3
1-(Pyrazin-2-yl)cyclopropanamine hydrochloride
- Product code: SSC-030247
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1255099-26-3 / 1-pyrazin-2-ylcyclopropan-1-amine;hydrochloride
Basic Information
CAS
1255099-26-3
Multi CAS
No
Molecular Formula
C7H10ClN3
Molecular Weight
171.630000
Exact Mass
171.056325
SMILES
C1CC1(C2=NC=CN=C2)N.Cl
InChI
InChI=1S/C7H9N3.ClH/c8-7(1-2-7)6-5-9-3-4-10-6;/h3-5H,1-2,8H2;1H
InChIKey
WEQAMYSTBVCBCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.38
TPSA
51.8
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.85
Consensus LogP
0.81
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.17
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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