美帕曲星
TL;DR: 美帕曲星 (CAS 62534-68-3) is a chemical compound with molecular formula C60H88N2O19 and molecular weight 1140.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美帕曲星
methyl (19E,21E,23Z,25Z,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Also Known As: Mepartricin A, MEPARTRICIN, methyl (4E,6E,8E,10Z,12Z,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate
| Molecular Formula | C60H88N2O19 |
|---|---|
| Molecular Weight | 1140.60 g/mol |
| LogP | 2.8343 |
| Topological Polar Surface Area | 354.78 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1140.5981 |
| Heavy Atoms | 81 |
| Complexity | 2320.1533 |
Chemical Identifiers
| CAS Number | 62534-68-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(/C=C/C=C/C=C\C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)OC)O)N)O |
Product Overview
美帕曲星 (CAS 62534-68-3), with molecular formula C60H88N2O19 and molecular weight 1140.60 g/mol. IUPAC: methyl (19E,21E,23Z,25Z,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate.
Chemical Property Profile of 美帕曲星
Property Insights of 美帕曲星
The XLogP value of 2.8343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 美帕曲星. The TPSA of 354.78 Ų indicates high polarity, suggesting 美帕曲星 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 美帕曲星 has 12 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 美帕曲星?
The CAS number of 美帕曲星 is 62534-68-3.
What is the molecular formula of 美帕曲星?
The molecular formula of 美帕曲星 is C60H88N2O19.
What is the molecular weight of 美帕曲星?
The molecular weight of 美帕曲星 is 1140.60 g/mol.
Where can I buy 美帕曲星?
You can request a quote for 美帕曲星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美帕曲星?
Yes, KEHONG BIO provides custom synthesis services for 美帕曲星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.