CAS RN: 2109874-10-2
(1S)-1-(4-BROMO-3-FLUOROPHENYL)ETHYLAMINE 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.20251021 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2109874-10-2
- Purity/Analytical Methods: >99.0%
2109874-10-2 / (1S)-1-(4-bromo-3-fluorophenyl)ethanamine;hydrochloride
Basic Information
CAS
2109874-10-2
Multi CAS
No
Molecular Formula
C8H10BrClFN
Molecular Weight
254.530000
Exact Mass
252.966920
SMILES
C[C@@H](C1=CC(=C(C=C1)Br)F)N.Cl
InChI
InChI=1S/C8H9BrFN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKey
BLXILKBUBMZCET-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
53.95
TPSA
26.02
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
6-Quinolinecarboxamide, 4-hydroxy-7-methoxy-
- CAS RN: 2110414-05-4
- Product Code: starshine_CAS2110414-05-4
- Purity/Analytical method: >99.0%
-
JNJ-63576253(TRC-253)
- CAS RN: 2110428-64-1
- Product Code: starshine_CAS2110428-64-1
- Purity/Analytical method: >99.0%
-
-
-
-
Ald-Ph-PEG3-O-NH-Boc
- CAS RN: 2110449-01-7
- Product Code: starshine_CAS2110449-01-7
- Purity/Analytical method: >99.0%
