![CAS 10344-94-2 4-Nitrophenyl β-D-Glucuronide [Substrate for β-Glucuronidase] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n0618-jpgcontextbwfzdgvyfhjvb3r8mtk0njb8aw1hz2uvanblz3xomtivade2lzkyntm1otkxntaxmtavtja2mtguanbnfdhkyzrhzgriyjy1nwrhnmjhodk5zwnlnmmwmzziymm5ognjodvlotbhyzezmjzhzdixn2u2zmi1mjbmmdm5ztq.jpeg)
CAS RN: 10344-94-2
4-Nitrophenyl β-D-Glucuronide [Substrate for β-Glucuronidase]
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260616 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250127 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250413 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250214 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-004977
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, 5g
- Available purity: >97%
- 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.
10344-94-2 / (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
4-Nitrophenyl beta-D-glucopyranosiduronic acid | 4-Nitrophenylglucuronide | p-nitrophenyl beta-d-glucuronide
Basic Information
CAS
10344-94-2
Multi CAS
Yes
Molecular Formula
C12H13NO9
Molecular Weight
315.230000
Exact Mass
315.059031
SMILES
C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChIKey
QSUILVWOWLUOEU-GOVZDWNOSA-N
Synonyms
4-Nitrophenyl beta-D-glucopyranosiduronic acid
4-Nitrophenylglucuronide
p-nitrophenyl beta-d-glucuronide
p-nitrophenylglucuronide
para-nitrophenylglucuronide
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
68.04
TPSA
159.59
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.98
XLogP3
-0.2
Consensus LogP
-0.77
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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