CAS RN: 1121586-23-9
5-BroMobenzene-1,2,3-triaMine
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.20260418 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1121586-23-9
- Purity/Analytical Methods: >99.0%
1121586-23-9 / 5-bromobenzene-1,2,3-triamine
5-Bromobenzene-1,2,3-triamine | SCHEMBL12819217 | DTXSID40696769
Basic Information
CAS
1121586-23-9
Multi CAS
No
Molecular Formula
C6H8BrN3
Molecular Weight
202.050000
Exact Mass
200.990160
SMILES
C1=C(C=C(C(=C1N)N)N)Br
InChI
InChI=1S/C6H8BrN3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,8-10H2
InChIKey
LKRYFTWIURQFJE-UHFFFAOYSA-N
Synonyms
5-Bromobenzene-1,2,3-triamine
SCHEMBL12819217
DTXSID40696769
LKRYFTWIURQFJE-UHFFFAOYSA-N
MFCD11111890
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.38
TPSA
78.06
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.6
Consensus LogP
0.95
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.1
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
