CAS RN: 14674-38-5
N-(4-METHOXY-BENZYLIDENE)-4-METHYL-BENZENESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14674-38-5
- Purity/Analytical Methods: >99.0%
14674-38-5 / N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
Basic Information
CAS
14674-38-5
Multi CAS
No
Molecular Formula
C15H15NO3S
Molecular Weight
289.400000
Exact Mass
289.077265
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H15NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3
InChIKey
NMFPHUIOZBSQGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
78.95
TPSA
55.73
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
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
1.5
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