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CAS 67567-15-1 (2R,3aα,5aα,6aβ,10bβ,10cα)-9α-(3-Furyl)dodecahydro-2β-hydroxy-10aα-methyl-4H,7H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,7-dione molecular structure lightbox
CAS RN: 67567-15-1

(2R,3aα,5aα,6aβ,10bβ,10cα)-9α-(3-Furyl)dodecahydro-2β-hydroxy-10aα-methyl-4H,7H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,7-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67567-15-1
  • Purity/Analytical Methods: >99.0%
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67567-15-1 / 4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione

Standard CAS: 67567-15-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
67567-15-1
Multi CAS
Yes
Molecular Formula
C19H22O6
Molecular Weight
346.400000
Exact Mass
346.141638
InChI
InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3
InChIKey
GFUMUSWDMNZQDZ-UHFFFAOYSA-N

Physical Properties

Melting Point
215 - 217 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.68
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.96
TPSA
85.97

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
7.5

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