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CAS 588706-67-6 Ophiopogonanone F molecular structure lightbox
CAS RN: 588706-67-6

Ophiopogonanone F

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Batch No.PackageAvailabilityInquiry
Batchno.20250529 5mg Out of stock Inquiry
  • Product code: starshine_CAS588706-67-6
  • Purity/Analytical Methods: >99.0%
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588706-67-6 / 7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydrochromen-4-one

Standard CAS: 588706-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588706-67-6
Multi CAS
Yes
Molecular Formula
C20H22O7
Molecular Weight
374.400000
Exact Mass
374.136553
InChI
InChI=1S/C20H22O7/c1-10-16(22)20(26-4)19-15(18(10)25-3)17(23)12(9-27-19)7-11-5-6-13(24-2)8-14(11)21/h5-6,8,12,21-22H,7,9H2,1-4H3
InChIKey
BWBMGXRBGCGOPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
97.63
TPSA
94.45

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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