Wilfortrine
TL;DR: Wilfortrine (CAS 37239-48-8) is a chemical compound with molecular formula C41H47NO20 and molecular weight 873.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,18S,19R,20R,21R,22S,23R,24R,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] furan-3-carboxylate
Also Known As: Wilfortrine, 4-27-00-06848 (Beilstein Handbook Reference), [(1S,3R,18S,19R,20R,21R,22S,23R,24R,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] furan-3-carboxylate, [tetraacetoxy-(acetoxymethyl)-dihydroxy-trimethyl-dioxo-[?]yl] furan-3-carboxylate, 3-Furancarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-18,21-dihydroxy-8,18,21- trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin-14-yl ester
| Molecular Formula | C41H47NO20 |
|---|---|
| Molecular Weight | 873.27 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 873.26917 |
| Heavy Atoms | 62 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 37239-48-8 |
|---|---|
| SMILES | CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14C([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C5=COC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OC[C@@]3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | JOKOHWLSQAZHFX-FYBNDBPCSA-N |
Product Overview
Wilfortrine (CAS 37239-48-8), with molecular formula C41H47NO20 and molecular weight 873.27 g/mol. IUPAC: [(1S,3R,18S,19R,20R,21R,22S,23R,24R,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] furan-3-carboxylate.
Chemical Property Profile of Wilfortrine
Property Insights of Wilfortrine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wilfortrine. The TPSA of 286.0 Ų indicates high polarity, suggesting Wilfortrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wilfortrine has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wilfortrine?
The CAS number of Wilfortrine is 37239-48-8.
What is the molecular formula of Wilfortrine?
The molecular formula of Wilfortrine is C41H47NO20.
What is the molecular weight of Wilfortrine?
The molecular weight of Wilfortrine is 873.27 g/mol.
Where can I buy Wilfortrine?
You can request a quote for Wilfortrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wilfortrine?
Yes, KEHONG BIO provides custom synthesis services for Wilfortrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.