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CAS 106565-71-3 (3S 5R 8AS)-(+)-HEXAHYDRO-3-PHENYL-5H-O& molecular structure lightbox
CAS RN: 106565-71-3

(3S 5R 8AS)-(+)-HEXAHYDRO-3-PHENYL-5H-O&

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 5g Out of stock 15 business days Inquiry
  • Product code: SSC-008193
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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: 5g
  • Available purity: ≥95%
  • 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 106565-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

106565-71-3 / (3S,5R,8aS)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile

Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile | Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile | RefChem:347535

Standard CAS: 106565-71-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106565-71-3
Multi CAS
Yes
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
SMILES
C1C[C@@H](N2[C@H](C1)OC[C@@H]2C3=CC=CC=C3)C#N
InChI
InChI=1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m1/s1
InChIKey
GQHMNZGZXHZLEN-MCIONIFRSA-N
Synonyms
Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile RefChem:347535 NSC375123 Oprea1_161413

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.01
TPSA
36.26

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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