CAS RN: 1227958-56-6
9H-Purine, 6-broMo-8-(2,6-dichlorophenyl)-
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.20250912 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1227958-56-6
- Purity/Analytical Methods: >99.0%
1227958-56-6 / 6-bromo-8-(2,6-dichlorophenyl)-7H-purine
Basic Information
CAS
1227958-56-6
Multi CAS
No
Molecular Formula
C11H5BrCl2N4
Molecular Weight
343.990000
Exact Mass
341.907460
SMILES
C1=CC(=C(C(=C1)Cl)C2=NC3=C(N2)C(=NC=N3)Br)Cl
InChI
InChI=1S/C11H5BrCl2N4/c12-9-8-11(16-4-15-9)18-10(17-8)7-5(13)2-1-3-6(7)14/h1-4H,(H,15,16,17,18)
InChIKey
CPHQYGWOXFTDEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.84
TPSA
54.46
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
4
Consensus LogP
3.9
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Marinopyrrole A
- CAS RN: 1227962-62-0
- Product Code: starshine_CAS1227962-62-0
- Purity/Analytical method: >99.0%
-
CC-115
- CAS RN: 1228013-15-7
- Product Code: starshine_CAS1228013-15-7
- Purity/Analytical method: >99.0%
-
-
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-(trimethylsilyloxy)propan-2-yl)pyridine
- CAS RN: 1228014-10-5
- Product Code: SSC-026312
-
7-bromo-1-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
- CAS RN: 1228014-19-4
- Product Code: SSC-026313
![CAS 1228014-19-4 7-bromo-1-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228014-19-4.gif)