CAS RN: 2757082-41-8

8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(4-methoxy-6-methyl-2-pyridinyl)-, (3aS,8aR)-

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Batchno.20251108 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
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  • Product code: starshine_CAS2757082-41-8
  • Purity/Analytical Methods: >99.0%
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2757082-41-8 / (3aR,8bS)-2-(4-methoxy-6-methyl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 2757082-41-8 Multi CAS: Yes

Basic Information

CAS
2757082-41-8
Multi CAS
Yes
Molecular Formula
C17H16N2O2
Molecular Weight
280.320000
Exact Mass
280.121178
InChI
InChI=1S/C17H16N2O2/c1-10-7-12(20-2)9-14(18-10)17-19-16-13-6-4-3-5-11(13)8-15(16)21-17/h3-7,9,15-16H,8H2,1-2H3/t15-,16+/m1/s1
InChIKey
ZCNSMCDTCMFWNH-CVEARBPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.82
TPSA
43.71

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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