CAS RN: 1606149-63-6
Platachromone 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.20260508 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1606149-63-6
- Purity/Analytical Methods: >99.0%
1606149-63-6 / 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-(3-methylbut-2-enyl)chromen-4-one
Basic Information
CAS
1606149-63-6
Multi CAS
No
Molecular Formula
C22H20O5
Molecular Weight
364.400000
Exact Mass
364.131074
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)/C=C/C3=CC=C(C=C3)O)C
InChI
InChI=1S/C22H20O5/c1-13(2)3-10-17-18(24)12-20(26)21-19(25)11-16(27-22(17)21)9-6-14-4-7-15(23)8-5-14/h3-9,11-12,23-24,26H,10H2,1-2H3/b9-6+
InChIKey
UACBSTHIFSMGJX-RMKNXTFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
105.98
TPSA
90.9
LogP / Solubility
WLOGP
4.59
MLOGP
4.06
XLogP3
5.2
Consensus LogP
4.62
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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