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CAS 14233-64-8 3β,4α-Bis(benzyloxy)-5β-(benzyloxymethyl)tetrahydrofuran-2-one molecular structure lightbox
CAS RN: 14233-64-8

3β,4α-Bis(benzyloxy)-5β-(benzyloxymethyl)tetrahydrofuran-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS14233-64-8
  • Purity/Analytical Methods: >99.0%
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14233-64-8 / (3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

Standard CAS: 14233-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14233-64-8
Multi CAS
No
Molecular Formula
C26H26O5
Molecular Weight
418.500000
Exact Mass
418.178024
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25+/m1/s1
InChIKey
LDHBSABBBAUMCZ-SDHSZQHLSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
116.02
TPSA
53.99

LogP / Solubility

WLOGP
4.3
MLOGP
3.81
XLogP3
4.1
Consensus LogP
4.07
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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