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CAS 91619-33-9 4-(3-NITROPHENYLSULFONYL)MORPHOLINE molecular structure lightbox
CAS RN: 91619-33-9

4-(3-NITROPHENYLSULFONYL)MORPHOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS91619-33-9
  • Purity/Analytical Methods: >99.0%
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91619-33-9 / 4-(3-nitrophenyl)sulfonylmorpholine

Standard CAS: 91619-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91619-33-9
Multi CAS
Yes
Molecular Formula
C10H12N2O5S
Molecular Weight
272.280000
Exact Mass
272.046693
InChI
InChI=1S/C10H12N2O5S/c13-12(14)9-2-1-3-10(8-9)18(15,16)11-4-6-17-7-5-11/h1-3,8H,4-7H2
InChIKey
XCYXNNGNLAIXNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
62.67
TPSA
89.75

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
0.5
Consensus LogP
0.56
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

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
1.5

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