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CAS 950596-31-3 8H-Indeno[1,2-d]oxazole, 2,2′-ethylidenebis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)- molecular structure lightbox
CAS RN: 950596-31-3

8H-Indeno[1,2-d]oxazole, 2,2′-ethylidenebis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)-

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 100mg In stock Shanghai Inquiry
Batchno.20250323 1g In stock Shanghai Inquiry
Batchno.20250814 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS950596-31-3
  • Purity/Analytical Methods: >99.0%
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950596-31-3 / 2-[1-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)ethyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 950596-31-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
950596-31-3
Multi CAS
Yes
Molecular Formula
C22H20N2O2
Molecular Weight
344.400000
Exact Mass
344.152478
InChI
InChI=1S/C22H20N2O2/c1-12(21-23-19-15-8-4-2-6-13(15)10-17(19)25-21)22-24-20-16-9-5-3-7-14(16)11-18(20)26-22/h2-9,12,17-20H,10-11H2,1H3
InChIKey
BCWZRUFCLMFNDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
99.55
TPSA
43.18

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.7
Consensus LogP
3.63
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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