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CAS 2182671-16-3 8H-Indeno[1,2-d]oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)- molecular structure lightbox
CAS RN: 2182671-16-3

8H-Indeno[1,2-d]oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105236
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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 2182671-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2182671-16-3 / (3aS,8bR)-2-[2-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 2182671-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2182671-16-3
Multi CAS
No
Molecular Formula
C43H46N2O2
Molecular Weight
622.800000
Exact Mass
622.355929
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C(C)(C)C)(C3=N[C@H]4[C@@H](O3)CC5=CC=CC=C45)C6=N[C@H]7[C@@H](O6)CC8=CC=CC=C78
InChI
InChI=1S/C43H46N2O2/c1-41(2,3)31-19-15-27(16-20-31)25-43(26-28-17-21-32(22-18-28)42(4,5)6,39-44-37-33-13-9-7-11-29(33)23-35(37)46-39)40-45-38-34-14-10-8-12-30(34)24-36(38)47-40/h7-22,35-38H,23-26H2,1-6H3/t35-,36-,37+,38+/m0/s1
InChIKey
AJVITPISLPTGTP-CDBYGCFJSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
190.51
TPSA
43.18

LogP / Solubility

WLOGP
9.24
MLOGP
8.18
XLogP3
10.2
Consensus LogP
9.21
Log S (ESOL)
-9.51
Class (ESOL)
Insoluble
Log S (Ali)
-11.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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