CAS RN: 2048273-70-5
(2-Bromo-4-chlorophenyl)methanamine 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.20250303 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2048273-70-5
- Purity/Analytical Methods: >99.0%
2048273-70-5 / (2-bromo-4-chlorophenyl)methanamine;hydrochloride
Basic Information
CAS
2048273-70-5
Multi CAS
No
Molecular Formula
C7H8BrCl2N
Molecular Weight
256.950000
Exact Mass
254.921720
SMILES
C1=CC(=C(C=C1Cl)Br)CN.Cl
InChI
InChI=1S/C7H7BrClN.ClH/c8-7-3-6(9)2-1-5(7)4-10;/h1-3H,4,10H2;1H
InChIKey
XHOQKXSBHAEKME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.29
TPSA
26.02
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.98
Consensus LogP
2.86
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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