CAS RN: 2241594-10-3
(R)-1-(4-bromophenyl)-3-methylbutan-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.20250108 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-10-3
- Purity/Analytical Methods: >99.0%
2241594-10-3 / (1R)-1-(4-bromophenyl)-3-methylbutan-1-amine;hydrochloride
Basic Information
CAS
2241594-10-3
Multi CAS
No
Molecular Formula
C11H17BrClN
Molecular Weight
278.610000
Exact Mass
277.023290
SMILES
CC(C)C[C@H](C1=CC=C(C=C1)Br)N.Cl
InChI
InChI=1S/C11H16BrN.ClH/c1-8(2)7-11(13)9-3-5-10(12)6-4-9;/h3-6,8,11H,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKey
IFCGWCVSEYLTAU-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.77
TPSA
26.02
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.92
Consensus LogP
3.77
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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