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CAS 546141-34-8 N-[2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methoxyphenyl]methanesulfonamide molecular structure lightbox
CAS RN: 546141-34-8

N-[2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-6-methoxyphenyl]methanesulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS546141-34-8
  • Purity/Analytical Methods: >99.0%
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546141-34-8 / N-[2-methoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

Standard CAS: 546141-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
546141-34-8
Multi CAS
No
Molecular Formula
C14H20N2O4S
Molecular Weight
312.390000
Exact Mass
312.114378
InChI
InChI=1S/C14H20N2O4S/c1-9(2)11-8-20-14(15-11)10-6-5-7-12(19-3)13(10)16-21(4,17)18/h5-7,9,11,16H,8H2,1-4H3/t11-/m1/s1
InChIKey
YXGJTTRPXOAJEA-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.58
TPSA
76.99

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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