CAS RN: 1643848-10-5
5-Bromo-2-phenyl-2H-benzotriazole
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.20250605 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1643848-10-5
- Purity/Analytical Methods: >99.0%
1643848-10-5 / 5-bromo-2-phenylbenzotriazole
Basic Information
CAS
1643848-10-5
Multi CAS
No
Molecular Formula
C12H8BrN3
Molecular Weight
274.120000
Exact Mass
272.990160
SMILES
C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)Br
InChI
InChI=1S/C12H8BrN3/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H
InChIKey
DPSSUEMVIPENJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.57
TPSA
30.71
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
4
Consensus LogP
3.33
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
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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