CAS RN: 2095456-37-2
(S)-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride
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.20250205 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099353
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2095456-37-2 / (1S)-1-pyrimidin-2-ylethanamine;hydrochloride
Basic Information
CAS
2095456-37-2
Multi CAS
No
Molecular Formula
C6H10ClN3
Molecular Weight
159.620000
Exact Mass
159.056325
SMILES
C[C@@H](C1=NC=CC=N1)N.Cl
InChI
InChI=1S/C6H9N3.ClH/c1-5(7)6-8-3-2-4-9-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1
InChIKey
YSFPQOISZUZLBH-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.88
TPSA
51.8
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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