CAS RN: 90178-82-8
3-FORMYL-4-NITROBENZONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251224 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-202666
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
90178-82-8 / 3-formyl-4-nitrobenzonitrile
Basic Information
CAS
90178-82-8
Multi CAS
No
Molecular Formula
C8H4N2O3
Molecular Weight
176.130000
Exact Mass
176.022192
InChI
InChI=1S/C8H4N2O3/c9-4-6-1-2-8(10(12)13)7(3-6)5-11/h1-3,5H
InChIKey
KVFQELNRGJIUKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
43.2
TPSA
84
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-Benzimidazolecarboxaldehyde (7CI)
- CAS RN: 90196-39-7
- Product Code: starshine_CAS90196-39-7
- Purity/Analytical method: >99.0%
-
-
2-Cyanoquinuclidine
- CAS RN: 90196-91-1
- Product Code: starshine_CAS90196-91-1
- Purity/Analytical method: >99.0%
-
3-(4,4-DIMETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL)PROPANOIC ACID HYDRATE
- CAS RN: 90197-83-4
- Product Code: SSC-202677
-
dimethyl-N,N’-oxalamidodiethanoate
- CAS RN: 90197-99-2
- Product Code: starshine_CAS90197-99-2
- Purity/Analytical method: >99.0%
-
Cyclobutane-1,3-dicarboxylicaciddiMethylester
- CAS RN: 90199-98-7
- Product Code: SSC-202680
