CAS RN: 71222-06-5
Schizandriside
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260626 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS71222-06-5
- Purity/Analytical Methods: >99.0%
71222-06-5 / 2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
Basic Information
CAS
71222-06-5
Multi CAS
Yes
Molecular Formula
C25H32O10
Molecular Weight
492.500000
Exact Mass
492.199547
InChI
InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1
InChIKey
TXSJJCSJHIDTDE-JTVAWUQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
6
Molar refractivity
122.64
TPSA
158.3
LogP / Solubility
WLOGP
0.48
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 71254-67-6 7-METHOXY-1,1-DIOXO-1,4-DIHYDRO-2H-1LAMBDA6-BENZO[1,2,4]THIADIAZIN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71254-67-6.gif)