1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol
TL;DR: 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol (CAS 59772-98-4) is a chemical compound with molecular formula C27H27N3O8 and molecular weight 521.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(phenylcarbamoyloxy)-6-(phenylcarbamoyloxymethyl)-1,3-dioxan-4-yl]methyl N-phenylcarbamate
Also Known As: MESO-2, TRIPHENYLCARBAMATE, 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol, 2,4-o-methylidene-1,3,5-tris-o-(phenylcarbamoyl)pentitol, [5-(phenylcarbamoyloxy)-6-(phenylcarbamoyloxymethyl)-1,3-dioxan-4-yl]methyl N-phenylcarbamate, 1,3,5-Tris-O-[hydroxy(phenylimino)methyl]-2,4-O-methylidenepentitol
| Molecular Formula | C27H27N3O8 |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 521.1798 |
| Heavy Atoms | 38 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 59772-98-4 |
|---|---|
| SMILES | C1OC(C(C(O1)COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3)COC(=O)NC4=CC=CC=C4 |
| InChIKey | CQUXOMGSMAAXQY-UHFFFAOYSA-N |
Product Overview
1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol (CAS 59772-98-4), with molecular formula C27H27N3O8 and molecular weight 521.18 g/mol. IUPAC: [5-(phenylcarbamoyloxy)-6-(phenylcarbamoyloxymethyl)-1,3-dioxan-4-yl]methyl N-phenylcarbamate.
Chemical Property Profile of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol
Property Insights of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol
The XLogP value of 3.8 indicates that 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol. Following Lipinski's Rule of Five, 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol?
The CAS number of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol is 59772-98-4.
What is the molecular formula of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol?
The molecular formula of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol is C27H27N3O8.
What is the molecular weight of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol?
The molecular weight of 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol is 521.18 g/mol.
Where can I buy 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol?
You can request a quote for 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris-O-(anilinocarbonyl)-2,4-O-methylenepentitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.