Ornithylamphotericin methyl ester
TL;DR: Ornithylamphotericin methyl ester (CAS 76023-49-9) is a chemical compound with molecular formula C53H85N3O18 and molecular weight 1051.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (19E,21E,23E,25E,27E,29E,31E)-33-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Also Known As: ornithylamphotericin methyl ester, Sch 28191, N-D-Ornithylamphotericin B methyl ester, Amphotericin B, N-D-ornithyl-, methyl ester, Amphotericin B, N-(2,5-diamino-1-oxopentyl)-, methyl ester, (3'(R))-
| Molecular Formula | C53H85N3O18 |
|---|---|
| Molecular Weight | 1051.58 g/mol |
| LogP | 0.0238 |
| Topological Polar Surface Area | 363.73 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 1051.5828 |
| Heavy Atoms | 74 |
| Complexity | 1912.8114 |
Chemical Identifiers
| CAS Number | 76023-49-9 |
|---|---|
| SMILES | CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCN)N)O |
Product Overview
Ornithylamphotericin methyl ester (CAS 76023-49-9), with molecular formula C53H85N3O18 and molecular weight 1051.58 g/mol. IUPAC: methyl (19E,21E,23E,25E,27E,29E,31E)-33-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate.
Chemical Property Profile of Ornithylamphotericin methyl ester
Property Insights of Ornithylamphotericin methyl ester
The XLogP value of 0.0238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ornithylamphotericin methyl ester. The TPSA of 363.73 Ų indicates high polarity, suggesting Ornithylamphotericin methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ornithylamphotericin methyl ester has 13 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 Ornithylamphotericin methyl ester?
The CAS number of Ornithylamphotericin methyl ester is 76023-49-9.
What is the molecular formula of Ornithylamphotericin methyl ester?
The molecular formula of Ornithylamphotericin methyl ester is C53H85N3O18.
What is the molecular weight of Ornithylamphotericin methyl ester?
The molecular weight of Ornithylamphotericin methyl ester is 1051.58 g/mol.
Where can I buy Ornithylamphotericin methyl ester?
You can request a quote for Ornithylamphotericin methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ornithylamphotericin methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ornithylamphotericin methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.