![CAS 913168-10-2 Benzo[d][1,2,3]triazol-1-yl-2-(2-(pyridin-2-yl)disulfanyl) ethyl carbonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913168-10-2.gif)
CAS RN: 913168-10-2
Benzo[d][1,2,3]triazol-1-yl-2-(2-(pyridin-2-yl)disulfanyl) ethyl carbonate
- Product code: SSC-204262
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 | Shenzhen | Inquiry |
913168-10-2 / benzotriazol-1-yl 2-(pyridin-2-yldisulfanyl)ethyl carbonate
Basic Information
CAS
913168-10-2
Multi CAS
No
Molecular Formula
C14H12N4O3S2
Molecular Weight
348.400000
Exact Mass
348.035083
InChI
InChI=1S/C14H12N4O3S2/c19-14(20-9-10-22-23-13-7-3-4-8-15-13)21-18-12-6-2-1-5-11(12)16-17-18/h1-8H,9-10H2
InChIKey
KRPACOYLOTZHII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
88.01
TPSA
79.13
LogP / Solubility
WLOGP
2.83
MLOGP
2.51
XLogP3
3.2
Consensus LogP
2.85
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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