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, 1g, 5g, 10g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Shanghai | Inquiry |
| 10g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
407640-21-5 / 2-[3-(methanesulfonamido)phenyl]acetic acid
Basic Information
CAS
407640-21-5
Multi CAS
No
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
InChI
InChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-3-7(5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
BIOUAIZBGSFDIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.25
TPSA
83.47
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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