CAS RN: 1360606-85-4
9-Dehydroxyeurotinone
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.20250509 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1360606-85-4
- Purity/Analytical Methods: >99.0%
1360606-85-4 / 2,4,7-trihydroxy-9-methyl-11H-benzo[c][1]benzoxepin-6-one
Basic Information
CAS
1360606-85-4
Multi CAS
No
Molecular Formula
C15H12O5
Molecular Weight
272.250000
Exact Mass
272.068473
SMILES
CC1=CC2=C(C(=C1)O)C(=O)OC3=C(C2)C=C(C=C3O)O
InChI
InChI=1S/C15H12O5/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)20-15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3
InChIKey
JVEWVOQVOXHEQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
70.38
TPSA
86.99
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
3.2
Consensus LogP
2.47
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.79
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
1.5
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