2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate
TL;DR: 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate (CAS 58214-53-2) is a chemical compound with molecular formula C27H21NO7S and molecular weight 503.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dibenzoyloxy-5-isothiocyanatooxolan-2-yl)methyl benzoate
Also Known As: 2,3,5-Tri-O-benzoyl-b-D-ribofuranosyl isothiocyanate, 2,3,5-Tri-O-benzoyl- -D-ribofuranosyl isothiocyanate, 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate, (3,4-dibenzoyloxy-5-isothiocyanatooxolan-2-yl)methyl benzoate, [4-benzoyloxy-2-(benzoyloxymethyl)-5-isothiocyanato-oxolan-3-yl] Benzoate
| Molecular Formula | C27H21NO7S |
|---|---|
| Molecular Weight | 503.10 g/mol |
| LogP | 4.1223 |
| Topological Polar Surface Area | 100.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.10388 |
| Heavy Atoms | 36 |
| Complexity | 1246.8883 |
Chemical Identifiers
| CAS Number | 58214-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N=C=S)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate (CAS 58214-53-2), with molecular formula C27H21NO7S and molecular weight 503.10 g/mol. IUPAC: (3,4-dibenzoyloxy-5-isothiocyanatooxolan-2-yl)methyl benzoate.
Chemical Property Profile of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate
Property Insights of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate
The XLogP value of 4.1223 indicates that 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate. Following Lipinski's Rule of Five, 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate?
The CAS number of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate is 58214-53-2.
What is the molecular formula of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate?
The molecular formula of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate is C27H21NO7S.
What is the molecular weight of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate?
The molecular weight of 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate is 503.10 g/mol.
Where can I buy 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate?
You can request a quote for 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.