CAS RN: 1351931-30-0
Sanggenol P
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.20250313 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1351931-30-0
- Purity/Analytical Methods: >99.0%
1351931-30-0 / 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Basic Information
CAS
1351931-30-0
Multi CAS
No
Molecular Formula
C30H36O6
Molecular Weight
492.600000
Exact Mass
492.251189
SMILES
CC(=CCC/C(=C/CC1=C(C(=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)/C)C
InChI
InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-22-29(34)20(11-9-18(3)4)13-23(30(22)35)26-16-25(33)28-24(32)14-21(31)15-27(28)36-26/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/b19-10+
InChIKey
WPROLIAXVJPKCX-VXLYETTFSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
141.12
TPSA
107.22
LogP / Solubility
WLOGP
6.96
MLOGP
6.16
XLogP3
7.7
Consensus LogP
6.94
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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