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CAS 1827720-97-7 4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium, 5a,10b-dihydro-2-[2,4,6-tris(1-methylethyl)phenyl]-, (5aS,10bR)-, tetrafluoroborate(1-) (1:1) molecular structure lightbox
CAS RN: 1827720-97-7

4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium, 5a,10b-dihydro-2-[2,4,6-tris(1-methylethyl)phenyl]-, (5aS,10bR)-, tetrafluoroborate(1-) (1:1)

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 100mg In stock Shanghai Inquiry
Batchno.20250110 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20251214 250mg In stock Shanghai Inquiry
Batchno.20250311 50mg In stock Shanghai Inquiry
Batchno.20260323 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260617 5g Out of stock Inquiry
  • Product code: SSC-084615
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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 1827720-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1827720-97-7 / 4-[2,4,6-tri(propan-2-yl)phenyl]-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene tetrafluoroborate

Standard CAS: 1827720-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1827720-97-7
Multi CAS
No
Molecular Formula
C27H34BF4N3O
Molecular Weight
503.400000
Exact Mass
503.273106
SMILES
[B-](F)(F)(F)F.CC(C)C1=CC(=C(C(=C1)C(C)C)N2C=[N+]3C4C(CC5=CC=CC=C45)OCC3=N2)C(C)C
InChI
InChI=1S/C27H34N3O.BF4/c1-16(2)20-11-22(17(3)4)26(23(12-20)18(5)6)30-15-29-25(28-30)14-31-24-13-19-9-7-8-10-21(19)27(24)29;2-1(3,4)5/h7-12,15-18,24,27H,13-14H2,1-6H3;/q+1;-1
InChIKey
VKKLFWUHNAKJTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
17
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
133.07
TPSA
30.93

LogP / Solubility

WLOGP
6.87
MLOGP
6.09
XLogP3
6.87
Consensus LogP
6.61
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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