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CAS 66756-57-8 (2S)-2β-(3-Furyl)-4aα,5,6aβ,7,10,11,11aα,11b-octahydro-11bβ-methyl-7β,10β-methano-2H-pyrano[4,3-g][3]benzoxepine-4,6,8(1H)-trione molecular structure lightbox
CAS RN: 66756-57-8

(2S)-2β-(3-Furyl)-4aα,5,6aβ,7,10,11,11aα,11b-octahydro-11bβ-methyl-7β,10β-methano-2H-pyrano[4,3-g][3]benzoxepine-4,6,8(1H)-trione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS66756-57-8
  • Purity/Analytical Methods: >99.0%
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66756-57-8 / 8-(furan-3-yl)-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-3,6,15-trione

Standard CAS: 66756-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66756-57-8
Multi CAS
Yes
Molecular Formula
C19H20O6
Molecular Weight
344.400000
Exact Mass
344.125988
InChI
InChI=1S/C19H20O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-13,15-16H,4-7H2,1H3
InChIKey
FJCWYLRNGKSUCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.63
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
82.96
TPSA
82.81

LogP / Solubility

WLOGP
2.43
MLOGP
2.16
XLogP3
1.4
Consensus LogP
2
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9

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