CAS RN: 1332765-92-0
CyclopropanaMine, 1-(2-broMophenyl)-, hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1332765-92-0
- Purity/Analytical Methods: >99.0%
1332765-92-0 / 1-(2-bromophenyl)cyclopropan-1-amine;hydrochloride
Basic Information
CAS
1332765-92-0
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1CC1(C2=CC=CC=C2Br)N.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKey
RQFJXDYDGAAUPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.49
TPSA
26.02
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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