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CAS 477-49-6 Podophyllotoxone, Analytical reference molecular structure lightbox
CAS RN: 477-49-6

Podophyllotoxone, Analytical reference

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250918 10mg In stock Shanghai Inquiry
Batchno.20250828 25mg In stock Shanghai Inquiry
Batchno.20260120 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250401 20mg Out of stock 5-7 business days Inquiry
  • Product code: LINP889703
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477-49-6 / (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione

Standard CAS: 477-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
477-49-6
Multi CAS
Yes
Molecular Formula
C22H20O8
Molecular Weight
412.400000
Exact Mass
412.115818
InChI
InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
InChIKey
ISCQYPPCSYRZOT-BKTGTZMESA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
102.78
TPSA
89.52

LogP / Solubility

WLOGP
2.56
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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