CAS RN: 81846-60-8
BETA-D-GLUCOPYRANOSYL NITROMETHANE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-190142
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 | Beijing | Inquiry |
81846-60-8 / 2-(hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol
Basic Information
CAS
81846-60-8
Multi CAS
Yes
Molecular Formula
C7H13NO7
Molecular Weight
223.180000
Exact Mass
223.069202
InChI
InChI=1S/C7H13NO7/c9-2-4-6(11)7(12)5(10)3(15-4)1-8(13)14/h3-7,9-12H,1-2H2/t3-,4+,5-,6+,7+/m0/s1
InChIKey
CNILFIXWGGSLAQ-PJEQPVAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
45.63
TPSA
133.29
LogP / Solubility
WLOGP
-2.89
MLOGP
-2.54
XLogP3
-2.2
Consensus LogP
-2.54
Log S (ESOL)
0.8
Class (ESOL)
Highly soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.93
Class (SILICOS-IT)
Highly 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)
-6.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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