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CAS 178740-32-4 rel-(8R,8’R)-diMethyl-(7S,7’R)-bis(3,4-Methylenedioxyphenyl)tetrahydro-furan molecular structure lightbox
CAS RN: 178740-32-4

rel-(8R,8’R)-diMethyl-(7S,7’R)-bis(3,4-Methylenedioxyphenyl)tetrahydro-furan

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250505 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS178740-32-4
  • Purity/Analytical Methods: >99.0%
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178740-32-4 / 5-[(2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole

Standard CAS: 178740-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178740-32-4
Multi CAS
No
Molecular Formula
C20H20O5
Molecular Weight
340.400000
Exact Mass
340.131074
SMILES
C[C@@H]1[C@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12-,19-,20+/m1/s1
InChIKey
QFUXQRHAJWXPGP-MWRFHTASSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
90.03
TPSA
46.15

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
4.1
Consensus LogP
4.02
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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