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CAS 740816-14-2 (5AS, 10BR)-(-)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 740816-14-2

(5AS, 10BR)-(-)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 100mg Out of stock Inquiry
Batchno.20250719 1g Out of stock Inquiry
Batchno.20250113 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-183486
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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 740816-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

740816-14-2 / (1R,9S)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene tetrafluoroborate

Standard CAS: 740816-14-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
740816-14-2
Multi CAS
Yes
Molecular Formula
BC18F9H11N3O
Molecular Weight
467.100000
Exact Mass
467.085146
InChI
InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m0./s1
InChIKey
CPCMDOOTVHDRTM-OUYNRQGDSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
90.6
TPSA
30.93

LogP / Solubility

WLOGP
4.2
MLOGP
3.73
XLogP3
4.2
Consensus LogP
4.04
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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