CAS RN: 1038753-13-7
4′-O-Methyllicoflavanone
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.20250624 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1038753-13-7
- Purity/Analytical Methods: >99.0%
1038753-13-7 / (2S)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
4'-O-Methyllicoflavanone | 4/'-O-Methyllicoflavanone | Macatrichocarpin A
Basic Information
CAS
1038753-13-7
Multi CAS
Yes
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
SMILES
CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(6-7-18(13)25-3)19-11-17(24)21-16(23)9-15(22)10-20(21)26-19/h4,6-10,19,22-23H,5,11H2,1-3H3/t19-/m0/s1
InChIKey
OSVQFBUNCMAMER-IBGZPJMESA-N
Synonyms
4'-O-Methyllicoflavanone
4/'-O-Methyllicoflavanone
Macatrichocarpin A
4-O-Methyllicoflavanone
(2S)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.22
TPSA
75.99
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
4.6
Consensus LogP
4.25
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
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
3
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