Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
51980-59-7 / 3-methoxypropane-1-sulfonic acid
Basic Information
CAS
51980-59-7
Multi CAS
Yes
Molecular Formula
C4H10O4S
Molecular Weight
154.190000
Exact Mass
154.029980
InChI
InChI=1S/C4H10O4S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKey
WVDJPYPEWMFJLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.91
TPSA
63.6
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.7
Consensus LogP
-0.29
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
