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CAS 34114-98-2 T-2 TRIOL molecular structure lightbox
CAS RN: 34114-98-2

T-2 TRIOL

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34114-98-2
  • Purity/Analytical Methods: >99.0%
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34114-98-2 / [(2R,4S,7R,9R,10R,11S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

Standard CAS: 34114-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34114-98-2
Multi CAS
Yes
Molecular Formula
C20H30O7
Molecular Weight
382.400000
Exact Mass
382.199153
InChI
InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChIKey
DDAUKBBLCGQHIP-CAVDVMKYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
94.69
TPSA
108.75

LogP / Solubility

WLOGP
0.55
MLOGP
0.51
XLogP3
-0.2
Consensus LogP
0.29
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.66

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
10

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