CAS RN: 1018898-17-3
7Z-Trifostigmanoside I
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.20260501 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1018898-17-3
- Purity/Analytical Methods: >99.0%
1018898-17-3 / (4S)-4-[(Z,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
7Z-Trifostigmanoside I | 7Z-TrifostigmanosideI
Basic Information
CAS
1018898-17-3
Multi CAS
Yes
Molecular Formula
C24H38O12
Molecular Weight
518.600000
Exact Mass
518.236327
SMILES
CC1=CC(=O)CC([C@]1(/C=C\[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)(C)C
InChI
InChI=1S/C24H38O12/c1-12-7-14(27)8-22(3,4)24(12,32)6-5-13(2)34-20-18(17(29)16(28)15(9-25)35-20)36-21-19(30)23(31,10-26)11-33-21/h5-7,13,15-21,25-26,28-32H,8-11H2,1-4H3
InChIKey
ZUOHPMUWXJPXFB-UHFFFAOYSA-N
Synonyms
7Z-Trifostigmanoside I
7Z-TrifostigmanosideI
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.79
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
7
Molar refractivity
122.21
TPSA
195.6
LogP / Solubility
WLOGP
-2.11
MLOGP
-1.82
XLogP3
-2.3
Consensus LogP
-2.08
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-7.38
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
9
Customers Also Viewed
-
![CAS 1018899-03-0 β-L-Xylopyranoside, Methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-1-thio-, 2,3,4-triacetate,(5S)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
β-L-Xylopyranoside, Methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-1-thio-, 2,3,4-triacetate,(5S)-
- CAS RN: 1018899-03-0
- Product Code: SSC-002944
-
-
-
2-(3-Aminopyridin-2-yl)acetonitrile
- CAS RN: 1018949-67-1
- Product Code: starshine_CAS1018949-67-1
- Purity/Analytical method: >99.0%
-
1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester
- CAS RN: 1018950-15-6
- Product Code: SSC-002949
-
2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine
- CAS RN: 1018953-88-2
- Product Code: SSC-002950
![CAS 1018899-03-0 β-L-Xylopyranoside, Methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-1-thio-, 2,3,4-triacetate,(5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018899-03-0.gif)
![CAS 1018950-15-6 1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018950-15-6.gif)
![CAS 1018953-88-2 2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018953-88-2.gif)