Scopafungin
TL;DR: Scopafungin (CAS 11056-18-1) is a chemical compound with molecular formula C59H103N3O18 and molecular weight 1141.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid
Also Known As: Scopafungin, 3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid
| Molecular Formula | C59H103N3O18 |
|---|---|
| Molecular Weight | 1141.72 g/mol |
| LogP | 3.3038 |
| Topological Polar Surface Area | 372.07 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 1141.7236 |
| Heavy Atoms | 80 |
| Complexity | 1955.605 |
Chemical Identifiers
| CAS Number | 11056-18-1 |
|---|---|
| SMILES | CC1CCC(C(C(CC(C(/C=C/C(C(C(=O)OC(C(/C=C/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)[C@@H](C)C[C@@H](C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O |
Product Overview
Scopafungin (CAS 11056-18-1), with molecular formula C59H103N3O18 and molecular weight 1141.72 g/mol. IUPAC: 3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic acid.
Chemical Property Profile of Scopafungin
Property Insights of Scopafungin
The XLogP value of 3.3038 indicates that Scopafungin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 372.07 Ų indicates high polarity, suggesting Scopafungin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scopafungin has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scopafungin?
The CAS number of Scopafungin is 11056-18-1.
What is the molecular formula of Scopafungin?
The molecular formula of Scopafungin is C59H103N3O18.
What is the molecular weight of Scopafungin?
The molecular weight of Scopafungin is 1141.72 g/mol.
Where can I buy Scopafungin?
You can request a quote for Scopafungin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scopafungin?
Yes, KEHONG BIO provides custom synthesis services for Scopafungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.