CAS RN: 775351-91-2
Corylifol C
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.20251121 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS775351-91-2
- Purity/Analytical Methods: >99.0%
775351-91-2 / 2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Basic Information
CAS
775351-91-2
Multi CAS
Yes
Molecular Formula
C20H18O5
Molecular Weight
338.400000
Exact Mass
338.115424
InChI
InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-10,21-22,24H,5H2,1-2H3
InChIKey
MXLIDQIPMAHDLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.05
TPSA
90.9
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
4
Consensus LogP
3.9
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly 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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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