CAS RN: 121817-24-1
Oxoflaccidin
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.20251126 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS121817-24-1
- Purity/Analytical Methods: >99.0%
121817-24-1 / 5,13-dihydroxy-6-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-3-one
Basic Information
CAS
121817-24-1
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
SMILES
COC1=C(C2=C3C(=C1)CCC4=C3C(=CC(=C4)O)OC2=O)O
InChI
InChI=1S/C16H12O5/c1-20-11-5-8-3-2-7-4-9(17)6-10-12(7)13(8)14(15(11)18)16(19)21-10/h4-6,17-18H,2-3H2,1H3
InChIKey
TZJITRARICBXCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.28
TPSA
79.9
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
3.1
Consensus LogP
2.58
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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