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CAS 2321534-63-6 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(3-isoquinolinyl)-, (3aS,8aR)- molecular structure lightbox
CAS RN: 2321534-63-6

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

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 100mg In stock Shanghai Inquiry
Batchno.20250822 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260417 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250731 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250507 5g Out of stock Inquiry
  • Product code: SSC-112791
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2321534-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2321534-63-6 / (3aR,8bS)-2-isoquinolin-3-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 2321534-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2321534-63-6
Multi CAS
No
Molecular Formula
C19H14N2O
Molecular Weight
286.300000
Exact Mass
286.110613
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=CC5=CC=CC=C5C=N4
InChI
InChI=1S/C19H14N2O/c1-2-7-14-11-20-16(9-12(14)5-1)19-21-18-15-8-4-3-6-13(15)10-17(18)22-19/h1-9,11,17-18H,10H2/t17-,18+/m1/s1
InChIKey
JFSAIBFTWVJDLD-MSOLQXFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
86.04
TPSA
34.48

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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