Wilfordine
TL;DR: Wilfordine (CAS 37239-51-3) is a chemical compound with molecular formula C43H49NO19 and molecular weight 883.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,18S,19R,20R,21R,22S,23R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Also Known As: Wilfordine, Wilfordin
| Molecular Formula | C43H49NO19 |
|---|---|
| Molecular Weight | 883.29 g/mol |
| LogP | 1.2714 |
| Topological Polar Surface Area | 272.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 883.28986 |
| Heavy Atoms | 63 |
| Complexity | 2189.8567 |
Chemical Identifiers
| CAS Number | 37239-51-3 |
|---|---|
| SMILES | CC(=O)OC[C@@]12[C@H]([C@H]([C@H]3C([C@@]14[C@@H](C([C@H]([C@H]2OC(=O)C)OC(=O)C)[C@](O4)(COC(=O)C5=C(CCC(C(=O)O3)(C)O)N=CC=C5)C)OC(=O)C)(C)O)OC(=O)C6=CC=CC=C6)OC(=O)C |
Product Overview
Wilfordine (CAS 37239-51-3), with molecular formula C43H49NO19 and molecular weight 883.29 g/mol. IUPAC: [(1S,3S,18S,19R,20R,21R,22S,23R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate.
Chemical Property Profile of Wilfordine
Property Insights of Wilfordine
The XLogP value of 1.2714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wilfordine. The TPSA of 272.98 Ų indicates high polarity, suggesting Wilfordine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wilfordine has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wilfordine?
The CAS number of Wilfordine is 37239-51-3.
What is the molecular formula of Wilfordine?
The molecular formula of Wilfordine is C43H49NO19.
What is the molecular weight of Wilfordine?
The molecular weight of Wilfordine is 883.29 g/mol.
Where can I buy Wilfordine?
You can request a quote for Wilfordine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wilfordine?
Yes, KEHONG BIO provides custom synthesis services for Wilfordine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.