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CAS 941283-79-0 “(5aR,10bS)-5a,10b-Dihydro-2-(4-methoxyphenyl)-4H,6Hindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Tetrafluoroborate,99%e.e.” molecular structure lightbox
CAS RN: 941283-79-0

“(5aR,10bS)-5a,10b-Dihydro-2-(4-methoxyphenyl)-4H,6Hindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Tetrafluoroborate,99%e.e.”

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250404 100mg In stock Shanghai Inquiry
Batchno.20250609 1g Out of stock Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
Batchno.20251123 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS941283-79-0
  • Purity/Analytical Methods: >99.0%
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941283-79-0 / 4-(4-methoxyphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene tetrafluoroborate

Standard CAS: 941283-79-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
941283-79-0
Multi CAS
Yes
Molecular Formula
BC19F4H18N3O2
Molecular Weight
407.200000
Exact Mass
407.142820
InChI
InChI=1S/C19H18N3O2.BF4/c1-23-15-8-6-14(7-9-15)22-12-21-18(20-22)11-24-17-10-13-4-2-3-5-16(13)19(17)21;2-1(3,4)5/h2-9,12,17,19H,10-11H2,1H3;/q+1;-1
InChIKey
UJCMRXOAABLWLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.36
TPSA
40.16

LogP / Solubility

WLOGP
3.51
MLOGP
3.12
XLogP3
3.51
Consensus LogP
3.38
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

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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