CAS RN: 2378619-75-9
b-Tz
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.20250114 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-115804
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2378619-75-9 / 3-methyl-6-[(4-phenylphenyl)methylsulfanyl]-1,2,4,5-tetrazine
Basic Information
CAS
2378619-75-9
Multi CAS
No
Molecular Formula
C16H14N4S
Molecular Weight
294.400000
Exact Mass
294.093918
SMILES
CC1=NN=C(N=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4S/c1-12-17-19-16(20-18-12)21-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
YATUIOCNNCZRCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
83.8
TPSA
51.56
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3
Consensus LogP
3.22
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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