CAS RN: 2460740-58-1
(R)-1-(4-Bromo-2,6-difluorophenyl)ethan-1-amine hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250804 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2460740-58-1
- Purity/Analytical Methods: >99.0%
2460740-58-1 / 1-(4-bromo-2,6-difluorophenyl)ethanamine;hydrochloride
Basic Information
CAS
2460740-58-1
Multi CAS
No
Molecular Formula
C8H9BrClF2N
Molecular Weight
272.520000
Exact Mass
270.957500
SMILES
CC(C1=C(C=C(C=C1F)Br)F)N.Cl
InChI
InChI=1S/C8H8BrF2N.ClH/c1-4(12)8-6(10)2-5(9)3-7(8)11;/h2-4H,12H2,1H3;1H
InChIKey
RBLSJFGZNFOVSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.91
TPSA
26.02
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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