![CAS 1646499-97-9 2-[(Cyclopropylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1646499-97-9.gif)
CAS RN: 1646499-97-9
2-[(Cyclopropylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
- Product code: SSC-071981
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1646499-97-9 / 2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
Basic Information
CAS
1646499-97-9
Multi CAS
No
Molecular Formula
C18H20N2O4S
Molecular Weight
360.400000
Exact Mass
360.114378
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3CC3
InChI
InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
InChIKey
RCSLEKLNDJJJLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.57
TPSA
84.5
LogP / Solubility
WLOGP
3.24
MLOGP
2.87
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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