Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
28791-97-1 / 1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
Basic Information
CAS
28791-97-1
Multi CAS
No
Molecular Formula
C16H22N6
Molecular Weight
298.390000
Exact Mass
298.190595
InChI
InChI=1S/C16H22N6/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22/h7-9,16H,1-6H3
InChIKey
COKUMKYWINNWLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
84.94
TPSA
53.46
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
3
Consensus LogP
2.68
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- CAS RN: 552846-17-0
- Product Code: SSC-163132
-
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- CAS RN: 761446-44-0
- Product Code: SSC-185598
-
1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- CAS RN: 761446-45-1
- Product Code: SSC-185599
-
Tris[2-(1H-pyrazol-1-yl)pyridine]cobalt(II) Bis(hexafluorophosphate)
- CAS RN: 1392221-69-0
- Product Code: ICTT3361
- Purity/Analytical method: >98.0%(HPLC)
-
![CAS 1392221-69-0 Tris[2-(1H-pyrazol-1-yl)pyridine]cobalt(II) Bis(hexafluorophosphate) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3361-jpgcontextbwfzdgvyfhjvb3r8ndu3njl8aw1hz2uvanblz3xongqvadmxlzg5mzi3mdu0mzu2nzgvvdmznjeuanbnfdzmnmu3n2y0mwriyzc1mwzlowe0odqyy2y2yjdlmjezymnlmmzjmddkmgmxnzc4ztk3zwrlzjg5ogm5yjiwnda.jpeg)
