CAS RN: 451503-30-3
BENZENEMETHANAMINE, 4-BROMO-ALPHA-PHENYL-, (S)- 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.20251014 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS451503-30-3
- Purity/Analytical Methods: >99.0%
451503-30-3 / (4-bromophenyl)-phenylmethanamine;hydrochloride
Basic Information
CAS
451503-30-3
Multi CAS
Yes
Molecular Formula
C13H13BRCLN
Molecular Weight
298.600000
Exact Mass
296.991990
InChI
InChI=1S/C13H12BrN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H/t13-;/m0./s1
InChIKey
SZWHELGYDLPWLM-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.86
TPSA
26.02
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.92
Consensus LogP
3.77
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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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