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CAS 65893-94-9 Glabrescione B molecular structure lightbox
CAS RN: 65893-94-9

Glabrescione B

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
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Batchno.20260330 1mg Out of stock Inquiry
  • Product code: starshine_CAS65893-94-9
  • Purity/Analytical Methods: >99.0%
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65893-94-9 / 3-[3,4-bis(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one

Standard CAS: 65893-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65893-94-9
Multi CAS
Yes
Molecular Formula
C27H30O6
Molecular Weight
450.500000
Exact Mass
450.204239
InChI
InChI=1S/C27H30O6/c1-17(2)9-11-31-22-8-7-19(13-23(22)32-12-10-18(3)4)21-16-33-25-15-20(29-5)14-24(30-6)26(25)27(21)28/h7-10,13-16H,11-12H2,1-6H3
InChIKey
RHXDATRKLOYVTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
130.88
TPSA
67.13

LogP / Solubility

WLOGP
6.17
MLOGP
5.46
XLogP3
6.1
Consensus LogP
5.91
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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