CAS RN: 565194-84-5
5-AMINO-N-(4-ETHOXY-PHENYL)-2-METHOXY-BENZENESULFONAMIDE
- Product code: SSC-164500
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
565194-84-5 / 5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
Basic Information
CAS
565194-84-5
Multi CAS
No
Molecular Formula
C15H18N2O4S
Molecular Weight
322.400000
Exact Mass
322.098728
InChI
InChI=1S/C15H18N2O4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3,16H2,1-2H3
InChIKey
AAOCXTAQSXUNCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.83
TPSA
90.65
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
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
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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