CAS RN: 330443-74-8

(3aR,8aS)-2-(pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251212 100mg In stock Shanghai Inquiry
Batchno.20260111 10g Out of stock Inquiry
Batchno.20251014 1g In stock Shanghai Inquiry
Batchno.20250510 250mg In stock Shanghai Inquiry
Batchno.20260324 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260105 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS330443-74-8
  • Purity/Analytical Methods: >99.0%
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330443-74-8 / (3aS,8bR)-2-pyridin-2-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 330443-74-8 Multi CAS: Yes

Basic Information

CAS
330443-74-8
Multi CAS
Yes
Molecular Formula
C15H12N2O
Molecular Weight
236.270000
Exact Mass
236.094963
InChI
InChI=1S/C15H12N2O/c1-2-6-11-10(5-1)9-13-14(11)17-15(18-13)12-7-3-4-8-16-12/h1-8,13-14H,9H2/t13-,14+/m0/s1
InChIKey
JPCAXHBKQLBOJG-UONOGXRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
68.53
TPSA
34.48

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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