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CAS 114026-76-5 (2R,3R)-α2,α2,α3,α3-tetraphenyl-1,4-Dioxaspiro[4.5]decane-2,3-diMethanol molecular structure lightbox
CAS RN: 114026-76-5

(2R,3R)-α2,α2,α3,α3-tetraphenyl-1,4-Dioxaspiro[4.5]decane-2,3-diMethanol

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260619 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260306 5g In stock Shenzhen, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013931
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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: ≥98%
  • 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 114026-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

114026-76-5 / [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol

(2R,3R)-1,4-Dioxaspiro[4.5]decane-2,3-diylbis(diphenylmethanol) | [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol | 1,4-Dioxaspiro[4.5]decane-2,3-dimethanol, alpha2,alpha2,alpha3,alpha3-tetraphenyl-, (2R,3R)-

Standard CAS: 114026-76-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114026-76-5
Multi CAS
Yes
Molecular Formula
C34H34O4
Molecular Weight
506.600000
Exact Mass
506.245710
SMILES
C1CCC2(CC1)OC(C(O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O
InChI
InChI=1S/C34H34O4/c35-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)30-31(38-32(37-30)24-14-5-15-25-32)34(36,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-31,35-36H,5,14-15,24-25H2
InChIKey
BFEYEENPZZLVAX-UHFFFAOYSA-N
Synonyms
(2R,3R)-1,4-Dioxaspiro[4.5]decane-2,3-diylbis(diphenylmethanol) [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol 1,4-Dioxaspiro[4.5]decane-2,3-dimethanol, alpha2,alpha2,alpha3,alpha3-tetraphenyl-, (2R,3R)- MFCD29905016 Oprea1_195631

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
147.33
TPSA
58.92

LogP / Solubility

WLOGP
6.3
MLOGP
5.58
XLogP3
6.2
Consensus LogP
6.03
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
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)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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