CAS RN: 184046-40-0
Dimeric coniferyl acetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250131 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS184046-40-0
- Purity/Analytical Methods: >99.0%
184046-40-0 / [(E)-3-[(2S,3R)-3-(acetyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] acetate
Basic Information
CAS
184046-40-0
Multi CAS
No
Molecular Formula
C24H26O8
Molecular Weight
442.500000
Exact Mass
442.162768
SMILES
CC(=O)OC/C=C/C1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2COC(=O)C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C24H26O8/c1-14(25)30-9-5-6-16-10-18-19(13-31-15(2)26)23(32-24(18)22(11-16)29-4)17-7-8-20(27)21(12-17)28-3/h5-8,10-12,19,23,27H,9,13H2,1-4H3/b6-5+/t19-,23+/m0/s1
InChIKey
TYXVTGSQLKCKCF-FDTLDTTQSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
116.06
TPSA
100.52
LogP / Solubility
WLOGP
3.77
MLOGP
3.34
XLogP3
3.1
Consensus LogP
3.4
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
N-(tert-Butoxycarbonyl)-(3S)-hydroxy-L-proline methyl ester
- CAS RN: 184046-78-4
- Product Code: SSC-085131
-
(R)-(-)-1-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI(3,5-DIMETHYLPHENYL)PHOSPHINE
- CAS RN: 184095-69-0
- Product Code: SSC-085139
-
-
3-(2-methyl-1h-imidazol-1-yl)aniline
- CAS RN: 184098-19-9
- Product Code: starshine_CAS184098-19-9
- Purity/Analytical method: >99.0%
-
Cyclobutanecarboxylic acid, 1-amino-3-methyl-, trans- (9CI)
- CAS RN: 184103-74-0
- Product Code: SSC-085148
-
Benzoylalbiflorin
- CAS RN: 184103-78-4
- Product Code: starshine_CAS184103-78-4
- Purity/Analytical method: >99.0%
![CAS 184095-69-0 (R)-(-)-1-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI(3,5-DIMETHYLPHENYL)PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/184095-69-0.gif)
