CAS RN: 1414455-03-0
Guajadial B
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.20251218 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1414455-03-0
- Purity/Analytical Methods: >99.0%
1414455-03-0 / (1R,4Z,8E,11S,19S)-15,17-dihydroxy-4,7,7,11-tetramethyl-19-phenyl-12-oxatricyclo[9.8.0.013,18]nonadeca-4,8,13,15,17-pentaene-14,16-dicarbaldehyde
Basic Information
CAS
1414455-03-0
Multi CAS
No
Molecular Formula
C30H34O5
Molecular Weight
474.600000
Exact Mass
474.240624
SMILES
C/C/1=C/CC(/C=C/C[C@]2([C@H](CC1)[C@H](C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)C4=CC=CC=C4)C)(C)C
InChI
InChI=1S/C30H34O5/c1-19-11-12-23-24(20-9-6-5-7-10-20)25-27(34)21(17-31)26(33)22(18-32)28(25)35-30(23,4)15-8-14-29(2,3)16-13-19/h5-10,13-14,17-18,23-24,33-34H,11-12,15-16H2,1-4H3/b14-8+,19-13-/t23-,24-,30+/m1/s1
InChIKey
SCJBVAONMYLOHE-HVJKKXGLSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
136.5
TPSA
83.83
LogP / Solubility
WLOGP
6.72
MLOGP
5.95
XLogP3
6.9
Consensus LogP
6.52
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.84
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
6
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