CAS RN: 315236-68-1
Sutherlandin trans-p-coumarate
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.20260612 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS315236-68-1
- Purity/Analytical Methods: >99.0%
315236-68-1 / [(E)-3-cyano-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Basic Information
CAS
315236-68-1
Multi CAS
Yes
Molecular Formula
C20H23NO9
Molecular Weight
421.400000
Exact Mass
421.137281
InChI
InChI=1S/C20H23NO9/c21-8-7-13(10-28-16(24)6-3-12-1-4-14(23)5-2-12)11-29-20-19(27)18(26)17(25)15(9-22)30-20/h1-7,15,17-20,22-23,25-27H,9-11H2/b6-3+,13-7-/t15-,17-,18+,19-,20-/m1/s1
InChIKey
JDEJUHBDYJVLND-DZXWJMGDSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
5
Molar refractivity
101.52
TPSA
169.7
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.66
XLogP3
-0.4
Consensus LogP
-0.61
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-5.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 315676-31-4 2-CHLORO-1-[2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROL-3-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2391171(1).gif)
