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CAS 264234-05-1 6′,7′-DihydroxybergaMottin molecular structure lightbox
CAS RN: 264234-05-1

6′,7′-DihydroxybergaMottin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS264234-05-1
  • Purity/Analytical Methods: >99.0%
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264234-05-1 / 4-(6,7-dihydroxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one

Standard CAS: 264234-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
264234-05-1
Multi CAS
Yes
Molecular Formula
C21H24O6
Molecular Weight
372.400000
Exact Mass
372.157288
InChI
InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3
InChIKey
IXZUPBUEKFXTSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.05
TPSA
93.04

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.4
Consensus LogP
3.51
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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