CAS RN: 750607-99-9
4-((2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL)ANILINE
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.20250315 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS750607-99-9
- Purity/Analytical Methods: >99.0%
750607-99-9 / 4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
Basic Information
CAS
750607-99-9
Multi CAS
No
Molecular Formula
C12H18N2O3S
Molecular Weight
270.350000
Exact Mass
270.103814
InChI
InChI=1S/C12H18N2O3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
InChIKey
ZHDKFRBHCZXAJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.62
TPSA
72.63
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.97
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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