CAS RN: 186689-07-6
2-(N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)AMINO)-2-DEOXYGLUCOSE
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250919 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250603 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250123 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250308 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250331 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS186689-07-6
- Purity/Analytical Methods: >99.0%
186689-07-6 / (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
Basic Information
CAS
186689-07-6
Multi CAS
No
Molecular Formula
C12H14N4O8
Molecular Weight
342.260000
Exact Mass
342.081163
SMILES
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1
InChIKey
QUTFFEUUGHUPQC-ILWYWAAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
5
Molar refractivity
77.04
TPSA
192.08
LogP / Solubility
WLOGP
-1.81
MLOGP
-1.58
XLogP3
-1.4
Consensus LogP
-1.6
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-6.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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