CAS RN: 4655-62-3
2,3-Dicyano-1,4-dihydroxy-5-nitronaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250610 | 250mg | Out of stock | Inquiry |
- Product code: SSC-153896
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 |
4655-62-3 / 1,4-dihydroxy-5-nitronaphthalene-2,3-dicarbonitrile
Basic Information
CAS
4655-62-3
Multi CAS
No
Molecular Formula
C12H5N3O4
Molecular Weight
255.190000
Exact Mass
255.028006
InChI
InChI=1S/C12H5N3O4/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15(18)19/h1-3,16-17H
InChIKey
FFSZGCAJTTUCCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
63.36
TPSA
131.18
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2.8
Consensus LogP
2.13
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
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
1.5
