CAS RN: 2492-87-7

4-Nitrophenyl β-D-Glucopyranoside Monohydrate [Substrate for β-D-Glucosidase]

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 100g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 100g In stock Wuhan Inquiry
Batchno.20260430 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250914 1mg In stock Shanghai Inquiry
Batchno.20260518 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251005 500mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260422 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-120218
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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: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2492-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

2492-87-7 / 2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol;hydrate

Standard CAS: 2492-87-7 Multi CAS: No

Basic Information

CAS
2492-87-7
Multi CAS
No
Molecular Formula
C12H17NO9
Molecular Weight
319.260000
Exact Mass
319.090331
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O.O
InChI
InChI=1S/C12H15NO8.H2O/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19;/h1-4,8-12,14-17H,5H2;1H2
InChIKey
KSEGJDPERYLUSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
71.11
TPSA
174.02

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.79
XLogP3
-2.05
Consensus LogP
-1.96
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-6.12

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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