![CAS 175166-49-1 (-)-2,2′-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1402-jpgcontextbwfzdgvyfhjvb3r8mzy5mdn8aw1hz2uvanblz3xoodgvaddmlzg5mze0mzq4mjm3mtavtte0mdiuanbnfge4nmuyyjuxzje1mjfimguxzwuwmjrmmwvlymm2otqxnmqwzjlhzjnlzdvlntyxotg1y2mynzc5ytg0ntmzzjq.jpeg)
CAS RN: 175166-49-1
(-)-2,2′-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260128 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250912 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260207 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260209 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: SSC-076816
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: 0.25g, 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
175166-49-1 / (3aR,8bS)-2-[[(3aR,8bS)-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
Basic Information
CAS
175166-49-1
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+/m1/s1
InChIKey
BDHSVQLSNIGJNC-JYWFKMLOSA-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 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): 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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