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CAS 74805-92-8 Methylophiopogonanone A molecular structure lightbox
CAS RN: 74805-92-8

Methylophiopogonanone A

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 10mg In stock Shanghai Inquiry
Batchno.20250510 25mg In stock Shanghai Inquiry
Batchno.20250304 50mg Out of stock Inquiry
  • Product code: starshine_CAS74805-92-8
  • Purity/Analytical Methods: >99.0%
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74805-92-8 / 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one

Standard CAS: 74805-92-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74805-92-8
Multi CAS
Yes
Molecular Formula
C19H18O6
Molecular Weight
342.300000
Exact Mass
342.110338
InChI
InChI=1S/C19H18O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6,12,20-21H,5,7-8H2,1-2H3/t12-/m1/s1
InChIKey
BXTNNJIQILYHJB-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.83
TPSA
85.22

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
3.8
Consensus LogP
3.08
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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