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CAS 684217-08-1 6′,7′-DihydroxybergaMottin acetonide molecular structure lightbox
CAS RN: 684217-08-1

6′,7′-DihydroxybergaMottin acetonide

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 5mg Out of stock Inquiry
  • Product code: starshine_CAS684217-08-1
  • Purity/Analytical Methods: >99.0%
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684217-08-1 / 4-[(E)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)pent-2-enoxy]furo[3,2-g]chromen-7-one

Standard CAS: 684217-08-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
684217-08-1
Multi CAS
Yes
Molecular Formula
C24H28O6
Molecular Weight
412.500000
Exact Mass
412.188589
InChI
InChI=1S/C24H28O6/c1-15(6-8-20-23(2,3)30-24(4,5)29-20)10-12-27-22-16-7-9-21(25)28-19(16)14-18-17(22)11-13-26-18/h7,9-11,13-14,20H,6,8,12H2,1-5H3/b15-10+
InChIKey
DLFOGGFNAICJAO-XNTDXEJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
13
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
114.86
TPSA
71.04

LogP / Solubility

WLOGP
5.57
MLOGP
4.93
XLogP3
4.9
Consensus LogP
5.13
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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