![CAS 834155-36-1 10-O-[(E)-3,4-Dimethoxycinnamoyl]-catalpol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/834155-36-1.gif)
CAS RN: 834155-36-1
10-O-[(E)-3,4-Dimethoxycinnamoyl]-catalpol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS834155-36-1
- Purity/Analytical Methods: >99.0%
834155-36-1 / [(1R,2R,4R,5R,6S,10R)-5-hydroxy-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Basic Information
CAS
834155-36-1
Multi CAS
Yes
Molecular Formula
C26H32O13
Molecular Weight
552.500000
Exact Mass
552.184291
InChI
InChI=1S/C26H32O13/c1-33-14-5-3-12(9-15(14)34-2)4-6-17(28)36-11-26-18-13(19(29)23(26)39-26)7-8-35-24(18)38-25-22(32)21(31)20(30)16(10-27)37-25/h3-9,13,16,18-25,27,29-32H,10-11H2,1-2H3/b6-4+/t13-,16-,18-,19+,20-,21+,22-,23+,24+,25+,26-/m0/s1
InChIKey
QHXDBFPOFIGMFJ-KPSINTOKSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
5
Molar refractivity
129
TPSA
186.13
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.11
XLogP3
-0.6
Consensus LogP
-1.01
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-7.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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