CAS RN: 30169-25-6
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
- Product code: SSC-133871
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
30169-25-6 / 3,6-bis(2,4-dimethylpyrrol-1-yl)-1,2,4,5-tetrazine
Basic Information
CAS
30169-25-6
Multi CAS
Yes
Molecular Formula
C14H16N6
Molecular Weight
268.320000
Exact Mass
268.143645
InChI
InChI=1S/C14H16N6/c1-9-5-11(3)19(7-9)13-15-17-14(18-16-13)20-8-10(2)6-12(20)4/h5-8H,1-4H3
InChIKey
MCBFBEQRHJQQBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
75.22
TPSA
61.42
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
1.6
Consensus LogP
1.84
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 76537-32-1 3,6-dichloro-Imidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/76537-32-1.png)
