CAS RN: 2188162-97-0
6-Hydroxycoumurrayin
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.20260117 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2188162-97-0
- Purity/Analytical Methods: >99.0%
2188162-97-0 / 6-hydroxy-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one
Basic Information
CAS
2188162-97-0
Multi CAS
No
Molecular Formula
C16H18O5
Molecular Weight
290.310000
Exact Mass
290.115424
SMILES
CC(=CCC1=C(C(=C(C2=C1OC(=O)C=C2)OC)O)OC)C
InChI
InChI=1S/C16H18O5/c1-9(2)5-6-10-14-11(7-8-12(17)21-14)16(20-4)13(18)15(10)19-3/h5,7-8,18H,6H2,1-4H3
InChIKey
SBZHOADRHUVKKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.39
TPSA
68.9
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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
2.5
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