Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 3 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.25g | -- | 3 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Beijing | Inquiry |
1227958-63-5 / 1-(4-bromophenyl)-5-methylpyrazole
Basic Information
CAS
1227958-63-5
Multi CAS
No
Molecular Formula
C10H9BrN2
Molecular Weight
237.100000
Exact Mass
235.994910
SMILES
CC1=CC=NN1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-8-6-7-12-13(8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKey
NXLMUQRZRCYGCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56
TPSA
17.82
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.08
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
-
tert-Butyl 4-broMo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- CAS RN: 1228014-35-4
- Product Code: SSC-026314
![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)
![CAS 1228014-35-4 tert-Butyl 4-broMo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228014-35-4.gif)