CAS RN: 19186-35-7
Desoxypodophyllotoxin
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS19186-35-7
- Purity/Analytical Methods: >99.0%
19186-35-7 / (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Basic Information
CAS
19186-35-7
Multi CAS
No
Molecular Formula
C22H22O7
Molecular Weight
398.400000
Exact Mass
398.136553
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI
InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1
InChIKey
ZGLXUQQMLLIKAN-SVIJTADQSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
102.15
TPSA
72.45
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
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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L-A-PHOSPHATIDYLCHOLINE, DIOCTANOYL
- CAS RN: 19191-91-4
- Product Code: starshine_CAS19191-91-4
- Purity/Analytical method: >99.0%
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