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CAS 109306-21-0 (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane molecular structure lightbox
CAS RN: 109306-21-0

(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-010555
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 109306-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

109306-21-0 / [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol

(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane | ((4R,5R)-2-Methyl-2-phenyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol) | MFCD00191611

Standard CAS: 109306-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109306-21-0
Multi CAS
Yes
Molecular Formula
C36H32O4
Molecular Weight
528.600000
Exact Mass
528.230060
SMILES
CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6
InChI
InChI=1S/C36H32O4/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31/h2-26,32-33,37-38H,1H3/t32-,33-/m1/s1
InChIKey
QVQMFUMIQACODH-CZNDPXEESA-N
Synonyms
(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane ((4R,5R)-2-Methyl-2-phenyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol) MFCD00191611 [(4R,5R)-5-(HYDROXYDIPHENYLMETHYL)-2-METHYL-2-PHENYL-1,3-DIOXOLAN-4-YL]DIPHENYLMETHANOL (2R,3R)-1,1,4,4-Tetraphenyl-2,3-O-(1-phenylethylidene)-1,2,3,4-butanetetrol

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
30
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
155.31
TPSA
58.92

LogP / Solubility

WLOGP
6.52
MLOGP
5.77
XLogP3
6.3
Consensus LogP
6.2
Log S (ESOL)
-7.32
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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