CAS RN: 1913291-02-7
WRG-28
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260301 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1913291-02-7
- Purity/Analytical Methods: >99.0%
1913291-02-7 / N-ethyl-4-[(7-oxophenoxazin-3-yl)oxymethyl]benzenesulfonamide
Basic Information
CAS
1913291-02-7
Multi CAS
No
Molecular Formula
C21H18N2O5S
Molecular Weight
410.400000
Exact Mass
410.093643
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C4C=CC(=O)C=C4O3
InChI
InChI=1S/C21H18N2O5S/c1-2-22-29(25,26)17-7-3-14(4-8-17)13-27-16-6-10-19-21(12-16)28-20-11-15(24)5-9-18(20)23-19/h3-12,22H,2,13H2,1H3
InChIKey
AARVTLIQNGAELZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
108.54
TPSA
98.5
LogP / Solubility
WLOGP
3.17
MLOGP
2.81
XLogP3
2.3
Consensus LogP
2.76
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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)
-2.97
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
3
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