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CAS 950842-73-6 (5S)-5,6-dihydro-5-(phenylmethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate molecular structure lightbox
CAS RN: 950842-73-6

(5S)-5,6-dihydro-5-(phenylmethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250604 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260430 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250115 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260313 50mg In stock Shanghai, Chengdu Inquiry
Batchno.20250108 50mg / 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250305 5g In stock Shanghai Inquiry
  • Product code: SSC-210295
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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 950842-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

950842-73-6 / (5S)-5-benzyl-2-(2,4,6-trimethylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate

Standard CAS: 950842-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
950842-73-6
Multi CAS
Yes
Molecular Formula
BC21F4H24N3O
Molecular Weight
421.200000
Exact Mass
421.194855
InChI
InChI=1S/C21H24N3O.BF4/c1-15-9-16(2)21(17(3)10-15)24-14-23-19(12-25-13-20(23)22-24)11-18-7-5-4-6-8-18;2-1(3,4)5/h4-10,14,19H,11-13H2,1-3H3;/q+1;-1/t19-;/m0./s1
InChIKey
ODDJKWKAKIPVMW-FYZYNONXSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
107
TPSA
30.93

LogP / Solubility

WLOGP
4.7
MLOGP
4.16
XLogP3
4.7
Consensus LogP
4.52
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
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)
-1.95

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
3.5

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