CAS RN: 90217-02-0
CTC
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-202699
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 |
90217-02-0 / 2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile chloride
Basic Information
CAS
90217-02-0
Multi CAS
Yes
Molecular Formula
C16H14CLN5
Molecular Weight
311.770000
Exact Mass
311.093773
InChI
InChI=1S/C16H14N5.ClH/c1-12-3-7-14(8-4-12)20-18-16(11-17)19-21(20)15-9-5-13(2)6-10-15;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey
SSJZAXOTLCJNLF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
77.08
TPSA
58.38
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.83
XLogP3
-0.96
Consensus LogP
-0.92
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 90222-81-4 2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONIC ACID AMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90222-81-4.gif)
