[email protected]
CAS 14233-48-8 1,3,4,5-Tetra-O-benzyl-D-glucitol molecular structure lightbox
CAS RN: 14233-48-8

1,3,4,5-Tetra-O-benzyl-D-glucitol

  • Product code: SSC-053192
GET A QUOTE
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
Request Bulk Quote

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 14233-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

14233-48-8 / 2,3,4,6-tetrakis(phenylmethoxy)hexane-1,5-diol

Standard CAS: 14233-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14233-48-8
Multi CAS
No
Molecular Formula
C34H38O6
Molecular Weight
542.700000
Exact Mass
542.266839
SMILES
C1=CC=C(C=C1)COCC(C(C(C(CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI
InChI=1S/C34H38O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-20,31-36H,21-26H2/t31-,32+,33-,34-/m1/s1
InChIKey
MQOUZFJJURBWAX-KMKAFXEASA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
17
H-bond acceptors
6
H-bond donors
2
Molar refractivity
154.25
TPSA
77.38

LogP / Solubility

WLOGP
5.31
MLOGP
4.72
XLogP3
4.5
Consensus LogP
4.84
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us