CAS RN: 918305-74-5
(1S,2R)-rel-2-(6-bromopyridin-3-yl)cyclopropan-1-amine dihydrochloride
- Product code: SSC-205274
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
918305-74-5 / trans-(1S,2R)-2-(6-bromo-3-pyridinyl)cyclopropan-1-amine;dihydrochloride
Basic Information
CAS
918305-74-5
Multi CAS
Yes
Molecular Formula
C8H11BRCL2N2
Molecular Weight
285.990000
Exact Mass
283.948270
InChI
InChI=1S/C8H9BrN2.2ClH/c9-8-2-1-5(4-11-8)6-3-7(6)10;;/h1-2,4,6-7H,3,10H2;2*1H/t6-,7+;;/m1../s1
InChIKey
XNFRETMLRDXDAC-VJBFUYBPSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.77
TPSA
38.91
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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