CAS RN: 1810074-64-6
(S)-1-(4-Bromo-3-chlorophenyl)ethanamine 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.20260113 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1810074-64-6
- Purity/Analytical Methods: >99.0%
1810074-64-6 / (1S)-1-(4-bromo-3-chlorophenyl)ethanamine;hydrochloride
Basic Information
CAS
1810074-64-6
Multi CAS
No
Molecular Formula
C8H10BrCl2N
Molecular Weight
270.980000
Exact Mass
268.937370
SMILES
C[C@@H](C1=CC(=C(C=C1)Br)Cl)N.Cl
InChI
InChI=1S/C8H9BrClN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKey
JOIWHZVZBBUSRA-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59
TPSA
26.02
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.54
Consensus LogP
3.4
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.86
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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