CAS RN: 55512-05-5
N-(3-FORMYLPHENYL)METHANESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-163444
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: 5g, 10g, 25g, 0.25g, 1g, 0.1g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 0.1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
55512-05-5 / N-(3-formylphenyl)methanesulfonamide
Basic Information
CAS
55512-05-5
Multi CAS
No
Molecular Formula
C8H9NO3S
Molecular Weight
199.230000
Exact Mass
199.030314
InChI
InChI=1S/C8H9NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h2-6,9H,1H3
InChIKey
CBDSSTWZEANOCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.3
TPSA
63.24
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.6
Consensus LogP
0.75
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.32
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
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