CAS RN: 604000-99-9
Benzoic acid, 4-formyl-3-nitro- (9CI)
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.20250615 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-168991
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 |
604000-99-9 / 4-formyl-3-nitrobenzoic acid
Basic Information
CAS
604000-99-9
Multi CAS
No
Molecular Formula
C8H5NO5
Molecular Weight
195.130000
Exact Mass
195.016772
InChI
InChI=1S/C8H5NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-4H,(H,11,12)
InChIKey
NGLYFQZZXYWIRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.44
TPSA
97.51
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.09
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.13
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
-
-
4,5,6,7-tetrahydro-4-oxo-Pyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester
- CAS RN: 604003-25-0
- Product Code: SSC-168993
-
4-Oxo-5,6,7,8-tetrahydro-4H-1,5,8a-triaza-azulene-2-carboxylic acid ethyl ester
- CAS RN: 604003-26-1
- Product Code: starshine_CAS604003-26-1
- Purity/Analytical method: >99.0%
-
-
5-Pyrimidinecarboxamide, N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]- (9CI)
- CAS RN: 604769-01-9
- Product Code: starshine_CAS604769-01-9
- Purity/Analytical method: >99.0%
-
Biotin-PEG11-Amine
- CAS RN: 604786-74-5
- Product Code: starshine_CAS604786-74-5
- Purity/Analytical method: >99.0%
![CAS 604003-25-0 4,5,6,7-tetrahydro-4-oxo-Pyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/604003-25-0.gif)
![CAS 604769-01-9 5-Pyrimidinecarboxamide, N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/604769-01-9.gif)
