CAS RN: 1160604-36-3
3-(bromomethyl)-Perylene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1160604-36-3
- Purity/Analytical Methods: >99.0%
1160604-36-3 / 3-(bromomethyl)perylene
3-(Bromomethyl)perylene | 3-bromomethylperylene | SCHEMBL22534072
Basic Information
CAS
1160604-36-3
Multi CAS
No
Molecular Formula
C21H13Br
Molecular Weight
345.200000
Exact Mass
344.020060
SMILES
C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)CBr)C=CC=C5C3=CC=C2
InChI
InChI=1S/C21H13Br/c22-12-14-10-11-19-17-8-2-5-13-4-1-7-16(20(13)17)18-9-3-6-15(14)21(18)19/h1-11H,12H2
InChIKey
VZBRXHUYHZNMKC-UHFFFAOYSA-N
Synonyms
3-(Bromomethyl)perylene
3-bromomethylperylene
SCHEMBL22534072
MFCD35624819
H42213
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
1
Molar refractivity
100.28
TPSA
0.0000
LogP / Solubility
WLOGP
6.63
MLOGP
5.85
XLogP3
6.3
Consensus LogP
6.26
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1160614-73-2 3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
- CAS RN: 1160614-73-2
- Product Code: SSC-016180
-
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-boronic acid pinacol ester
- CAS RN: 1160615-37-1
- Product Code: SSC-016181
-
-
-
N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
- CAS RN: 1160686-01-0
- Product Code: SSC-016188
-
5-Methyl-2′-deoxy Cytidine-d3
- CAS RN: 1160707-78-7
- Product Code: starshine_CAS1160707-78-7
- Purity/Analytical method: >99.0%
![CAS 1160614-73-2 3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160614-73-2.gif)
![CAS 1160615-37-1 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-boronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160615-37-1.gif)
