CAS RN: 131623-14-8
6′-feruloylnodakenin
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251216 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS131623-14-8
- Purity/Analytical Methods: >99.0%
131623-14-8 / [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Basic Information
CAS
131623-14-8
Multi CAS
No
Molecular Formula
C30H32O12
Molecular Weight
584.600000
Exact Mass
584.189376
SMILES
CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)O
InChI
InChI=1S/C30H32O12/c1-30(2,23-12-17-11-16-6-9-25(33)40-19(16)13-20(17)39-23)42-29-28(36)27(35)26(34)22(41-29)14-38-24(32)8-5-15-4-7-18(31)21(10-15)37-3/h4-11,13,22-23,26-29,31,34-36H,12,14H2,1-3H3/b8-5+/t22-,23-,26-,27+,28-,29+/m1/s1
InChIKey
AIKVOZSRVVMWGS-UEXLCRCOSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
4
Molar refractivity
147.1
TPSA
174.35
LogP / Solubility
WLOGP
1.67
MLOGP
1.52
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
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)
-5.1
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
8
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