CAS RN: 1192815-26-1

(R)-N-(2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-6-methoxyphenyl)methanesulfonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1192815-26-1
  • Purity/Analytical Methods: >99.0%
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1192815-26-1 / N-[2-methoxy-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

SCHEMBL18862601

Standard CAS: 1192815-26-1 Multi CAS: Yes

Basic Information

CAS
1192815-26-1
Multi CAS
Yes
Molecular Formula
C14H20N2O4S
Molecular Weight
312.390000
Exact Mass
312.114378
SMILES
CC(C)[C@@H]1COC(=N1)C2=C(C(=CC=C2)OC)NS(=O)(=O)C
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-/m0/s1
InChIKey
YXGJTTRPXOAJEA-NSHDSACASA-N
Synonyms
SCHEMBL18862601

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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