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CAS 925706-40-7 (S)-5-Benzyl-2-Mesityl-6,6-diMethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-C][1,4]oxazin-2-iuM tetrafluoroborate molecular structure lightbox
CAS RN: 925706-40-7

(S)-5-Benzyl-2-Mesityl-6,6-diMethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-C][1,4]oxazin-2-iuM tetrafluoroborate

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 100mg In stock Shanghai Inquiry
Batchno.20260524 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251108 1g Out of stock Inquiry
Batchno.20250828 250mg In stock Shanghai Inquiry
Batchno.20260511 50mg In stock Shanghai Inquiry
  • Product code: SSC-206284
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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 925706-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

925706-40-7 / (5S)-5-benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate

Standard CAS: 925706-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
925706-40-7
Multi CAS
Yes
Molecular Formula
BC23F4H28N3O
Molecular Weight
449.300000
Exact Mass
449.226155
InChI
InChI=1S/C23H28N3O.BF4/c1-16-11-17(2)22(18(3)12-16)26-15-25-20(13-19-9-7-6-8-10-19)23(4,5)27-14-21(25)24-26;2-1(3,4)5/h6-12,15,20H,13-14H2,1-5H3;/q+1;-1/t20-;/m0./s1
InChIKey
PVYSZYZMWZCJCT-BDQAORGHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
116.21
TPSA
30.93

LogP / Solubility

WLOGP
5.48
MLOGP
4.85
XLogP3
5.48
Consensus LogP
5.27
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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