CAS RN: 518-28-5

Podophyllotoxin

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11 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250907 100g In stock Shanghai, Wuhan Inquiry
Batchno.20250530 100g Out of stock 5-7 business days Inquiry
Batchno.20260522 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250317 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250719 1g In stock Shanghai, Shandong Inquiry
Batchno.20250419 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250325 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250529 25g In stock Shandong Inquiry
Batchno.20250902 500mg In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20250804 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260301 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: ICTP1771
  • Purity/Analytical Methods: >95.0%(HPLC)
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518-28-5 / 5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Standard CAS: 518-28-5 Multi CAS: Yes

Basic Information

CAS
518-28-5
Multi CAS
Yes
Molecular Formula
C22H22O8
Molecular Weight
414.400000
Exact Mass
414.131468
InChI
InChI=1S/C22H22O8/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/h4-7,13,18-20,23H,8-9H2,1-3H3
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
103.4
TPSA
92.68

LogP / Solubility

WLOGP
2.41
MLOGP
2.15
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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