CAS RN: 1831121-84-6
BROX-003
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.20250927 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251203 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260309 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250420 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250718 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250516 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-084717
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: 10g, 25g, 100g
- 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.
1831121-84-6 / (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
Basic Information
CAS
1831121-84-6
Multi CAS
No
Molecular Formula
C5H10O4
Molecular Weight
134.130000
Exact Mass
134.057909
SMILES
C1[C@@H]([C@H](OC1O)CO)O
InChI
InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKey
PDWIQYODPROSQH-PYHARJCCSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
28.59
TPSA
69.92
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.37
XLogP3
-1
Consensus LogP
-1.31
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
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)
-4.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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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