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CAS 180186-94-1 (+)-2,2′-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] molecular structure lightbox
CAS RN: 180186-94-1

(+)-2,2′-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100g In stock Shanghai Inquiry
Batchno.20251011 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250209 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250324 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250206 25g In stock Shanghai Inquiry
Batchno.20250922 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-080585
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 180186-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

180186-94-1 / (3aS,8bR)-2-[[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 180186-94-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180186-94-1
Multi CAS
No
Molecular Formula
C21H18N2O2
Molecular Weight
330.400000
Exact Mass
330.136828
SMILES
C1[C@H]2[C@@H](C3=CC=CC=C31)N=C(O2)CC4=N[C@H]5[C@@H](O4)CC6=CC=CC=C56
InChI
InChI=1S/C21H18N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,16-17,20-21H,9-11H2/t16-,17-,20+,21+/m0/s1
InChIKey
BDHSVQLSNIGJNC-ZCLUNYJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
95.01
TPSA
43.18

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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