CAS RN: 1261471-96-8
1-(2-Brom-6-chlorphenyl)methanamin
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.20250509 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261471-96-8
- Purity/Analytical Methods: >99.0%
1261471-96-8 / (2-bromo-6-chlorophenyl)methanamine
Basic Information
CAS
1261471-96-8
Multi CAS
No
Molecular Formula
C7H7BrClN
Molecular Weight
220.490000
Exact Mass
218.945040
SMILES
C1=CC(=C(C(=C1)Br)CN)Cl
InChI
InChI=1S/C7H7BrClN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey
MBIMYEQDLUIZAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.04
TPSA
26.02
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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