CAS RN: 735322-12-0
2-(4-ETHOXY-PHENOXY)-5-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE
- Product code: SSC-182956
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 | Shanghai | Inquiry |
735322-12-0 / 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline
Basic Information
CAS
735322-12-0
Multi CAS
No
Molecular Formula
C18H22N2O5S
Molecular Weight
378.400000
Exact Mass
378.124943
InChI
InChI=1S/C18H22N2O5S/c1-2-24-14-3-5-15(6-4-14)25-18-8-7-16(13-17(18)19)26(21,22)20-9-11-23-12-10-20/h3-8,13H,2,9-12,19H2,1H3
InChIKey
MKDRWCVWOAWEJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
98.12
TPSA
91.09
LogP / Solubility
WLOGP
2.48
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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