![CAS 58419-69-5 1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58419-69-5.gif)
CAS RN: 58419-69-5
1-[4-(BROMOMETHYL)PHENYL]-1H-1,2,4-TRIAZOLE 0.5 HYDROBROMIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58419-69-5
- Purity/Analytical Methods: >99.0%
58419-69-5 / 1-[4-(bromomethyl)phenyl]-1,2,4-triazole
Basic Information
CAS
58419-69-5
Multi CAS
No
Molecular Formula
BC9H8Rn3
Molecular Weight
238.080000
Exact Mass
236.990160
InChI
InChI=1S/C9H8BrN3/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13/h1-4,6-7H,5H2
InChIKey
NOUAEJFAVOHNSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.99
TPSA
30.71
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.64
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
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- CAS RN: 58431-91-7
- Product Code: starshine_CAS58431-91-7
- Purity/Analytical method: >99.0%
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![CAS 58431-91-7 3-[bis(2-hydroxyethyl)amino]propanesulphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58431-91-7.gif)
