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CAS 29767-20-2 Teniposide molecular structure lightbox
CAS RN: 29767-20-2

Teniposide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTT3109
  • Purity/Analytical Methods: >98.0%(HPLC)
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29767-20-2 / 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Standard CAS: 29767-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29767-20-2
Multi CAS
Yes
Molecular Formula
C32H32O13S
Molecular Weight
656.700000
Exact Mass
656.156362
InChI
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3
InChIKey
NRUKOCRGYNPUPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
17
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
3
Molar refractivity
155.94
TPSA
160.83

LogP / Solubility

WLOGP
2.75
MLOGP
2.48
XLogP3
1.2
Consensus LogP
2.14
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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