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CAS 905858-63-1 N-(Methylsulfonyl)-N-(2-phenoxyphenyl)MethanesulfonaMide molecular structure lightbox
CAS RN: 905858-63-1

N-(Methylsulfonyl)-N-(2-phenoxyphenyl)MethanesulfonaMide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS905858-63-1
  • Purity/Analytical Methods: >99.0%
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905858-63-1 / N-methylsulfonyl-N-(2-phenoxyphenyl)methanesulfonamide

Standard CAS: 905858-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
905858-63-1
Multi CAS
No
Molecular Formula
C14H15NO5S2
Molecular Weight
341.400000
Exact Mass
341.039165
InChI
InChI=1S/C14H15NO5S2/c1-21(16,17)15(22(2,18)19)13-10-6-7-11-14(13)20-12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKey
GLTNBGDWZIVPRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
85.12
TPSA
80.75

LogP / Solubility

WLOGP
2.2
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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