![CAS 72274-25-0 N-(4-BROMO-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72274-25-0.gif)
CAS RN: 72274-25-0
N-(4-BROMO-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE
- Product code: SSC-181826
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
72274-25-0 / 2-N-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
72274-25-0
Multi CAS
Yes
Molecular Formula
BC9H8Rn5
Molecular Weight
266.100000
Exact Mass
264.996310
InChI
InChI=1S/C9H8BrN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKey
UBVSIAHUTXHQTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.66
TPSA
76.72
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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