CAS RN: 2173052-92-9
(1S,2S)-rel-2-(2-bromo-1,3-thiazol-5-yl)cyclopropan-1-amine dihydrobromide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2173052-92-9
- Purity/Analytical Methods: >99.0%
2173052-92-9 / trans-(1S,2S)-2-(2-bromo-1,3-thiazol-5-yl)cyclopropan-1-amine;dihydrobromide
Basic Information
CAS
2173052-92-9
Multi CAS
No
Molecular Formula
C6H9Br3N2S
Molecular Weight
380.930000
Exact Mass
379.801610
SMILES
C1[C@@H]([C@H]1N)C2=CN=C(S2)Br.Br.Br
InChI
InChI=1S/C6H7BrN2S.2BrH/c7-6-9-2-5(10-6)3-1-4(3)8;;/h2-4H,1,8H2;2*1H/t3-,4-;;/m0../s1
InChIKey
UZYAXIBEMSBNPP-RGVONZFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.79
TPSA
38.91
LogP / Solubility
WLOGP
2.88
MLOGP
2.55
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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