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CAS 1027754-31-9 6,8-Methanoquinoline, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-5,6,7,8-tetrahydro-7,7-dimethyl-, (6R,8R)- molecular structure lightbox
CAS RN: 1027754-31-9

6,8-Methanoquinoline, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-5,6,7,8-tetrahydro-7,7-dimethyl-, (6R,8R)-

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260328 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-004123
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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 1027754-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1027754-31-9 / (4S)-2-[(1R,9R)-10,10-dimethyl-3-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-4-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

(S)-2-((6R,8R)-7,7-Dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl)-4-phenyl-4,5-dihydrooxazole | (4S)-2-[(1R,9R)-10,10-dimethyl-3-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-4-yl]-4-phenyl-4,5-dihydro-1,3-oxazole | (S)-2-[(6R,8R)-7,7-Dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-4-phenyl-4,5-dihydrooxazole

Standard CAS: 1027754-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027754-31-9
Multi CAS
Yes
Molecular Formula
C21H22N2O
Molecular Weight
318.400000
Exact Mass
318.173213
SMILES
CC1([C@@H]2C[C@H]1C3=C(C2)C=CC(=N3)C4=N[C@H](CO4)C5=CC=CC=C5)C
InChI
InChI=1S/C21H22N2O/c1-21(2)15-10-14-8-9-17(22-19(14)16(21)11-15)20-23-18(12-24-20)13-6-4-3-5-7-13/h3-9,15-16,18H,10-12H2,1-2H3/t15-,16-,18+/m0/s1
InChIKey
BQPOTNVOGYBVEV-XYJFISCASA-N
Synonyms
(S)-2-((6R,8R)-7,7-Dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl)-4-phenyl-4,5-dihydrooxazole (4S)-2-[(1R,9R)-10,10-dimethyl-3-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-4-yl]-4-phenyl-4,5-dihydro-1,3-oxazole (S)-2-[(6R,8R)-7,7-Dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-4-phenyl-4,5-dihydrooxazole MFCD34563831 BS-51748

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
94.24
TPSA
34.48

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.1
Consensus LogP
4.06
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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