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CAS 115250-38-9 (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone molecular structure lightbox
CAS RN: 115250-38-9

(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014931
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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 115250-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

115250-38-9 / (2R,3S,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexan-1-one

(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-((phenylmethoxy)methyl)cyclohexanone | (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]cyclohexanone | RefChem:206794

Standard CAS: 115250-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115250-38-9
Multi CAS
Yes
Molecular Formula
C35H36O6
Molecular Weight
552.700000
Exact Mass
552.251189
SMILES
C1C(=O)[C@@H]([C@H]([C@@H]([C@]1(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33+,34-,35-/m0/s1
InChIKey
JWXHKWBUBUUEFP-SNSGHMKVSA-N
Synonyms
(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-((phenylmethoxy)methyl)cyclohexanone (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]cyclohexanone RefChem:206794 (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone (2R,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexanone

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
155.73
TPSA
74.22

LogP / Solubility

WLOGP
5.66
MLOGP
5.03
XLogP3
4.5
Consensus LogP
5.06
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7

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