CAS RN: 10546-64-2
2,6-DIBROMO-4-N-PROPYLANILINE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250930 | 1g | In stock | Inquiry |
- Product code: starshine_CAS10546-64-2
- Purity/Analytical Methods: >99.0%
10546-64-2 / 2,6-dibromo-4-propylaniline
DTXSID00147141 | RefChem:1060234 | DTXCID4069632
Basic Information
CAS
10546-64-2
Multi CAS
Yes
Molecular Formula
C9H11Br2N
Molecular Weight
293.000000
Exact Mass
292.923780
SMILES
CCCC1=CC(=C(C(=C1)Br)N)Br
InChI
InChI=1S/C9H11Br2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
InChIKey
DTMCGFMOLUVBPL-UHFFFAOYSA-N
Synonyms
DTXSID00147141
RefChem:1060234
DTXCID4069632
2,6-dibromo-4-(1-methylethyl)benzenamine
2,6-Dibromo-4-n-propylaniline
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.25
TPSA
26.02
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
4
Consensus LogP
3.69
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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