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CAS 34114-99-3 T-2 TETRAOL molecular structure lightbox
CAS RN: 34114-99-3

T-2 TETRAOL

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250704 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS34114-99-3
  • Purity/Analytical Methods: >99.0%
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34114-99-3 / (2R,4S,7R,9R,10R,11S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol

Standard CAS: 34114-99-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34114-99-3
Multi CAS
Yes
Molecular Formula
C15H22O6
Molecular Weight
298.330000
Exact Mass
298.141638
InChI
InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15-/m0/s1
InChIKey
ZAXZBJSXSOISTF-LYFQSNBGSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
71.36
TPSA
102.68

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.91
XLogP3
-2.1
Consensus LogP
-1.35
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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