Aureofacin
TL;DR: Aureofacin (CAS 39390-53-9) is a chemical compound with molecular formula C62H91N3O19 and molecular weight 1181.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[22-[(3S,4R,5S,6R)-4-amino-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-4,8,10,12,14,18,20-heptahydroxy-38-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-37-methyl-2,6,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carbonyl]amino]acetic acid
Also Known As: Aureofacin, 2-[[(4E,6E,8Z,10Z,12E,14E,16E)-18-[(3S,4R,5S,6R)-4-amino-5-hydroxy-3,6-dimethyl-oxan-2-yl]oxy-20,22,26,28,30,32,36-heptahydroxy-2-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-3-methyl-24,34,38-trioxo-1-oxacyclooctatriaconta-4,6,8,10,12,14,16-hept, 2-[[22-[(3S,4R,5S,6R)-4-amino-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-4,8,10,12,14,18,20-heptahydroxy-38-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-37-methyl-2,6,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carbonyl]amino]acetic acid
| Molecular Formula | C62H91N3O19 |
|---|---|
| Molecular Weight | 1181.62 g/mol |
| LogP | 2.9799 |
| Topological Polar Surface Area | 382.49 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 1181.6246 |
| Heavy Atoms | 84 |
| Complexity | 2423.4414 |
Chemical Identifiers
| CAS Number | 39390-53-9 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@@H]([C@H](OC1OC2CC(C(C(CC(=O)CC(CC(CC(CC(CC(=O)CC(CC(=O)OC(C(C=CC=CC=CC=CC=CC=CC=C2)C)C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)C(=O)NCC(=O)O)O)C)O)N |
Product Overview
Aureofacin (CAS 39390-53-9), with molecular formula C62H91N3O19 and molecular weight 1181.62 g/mol. IUPAC: 2-[[22-[(3S,4R,5S,6R)-4-amino-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-4,8,10,12,14,18,20-heptahydroxy-38-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-37-methyl-2,6,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carbonyl]amino]acetic acid.
Chemical Property Profile of Aureofacin
Property Insights of Aureofacin
The XLogP value of 2.9799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aureofacin. The TPSA of 382.49 Ų indicates high polarity, suggesting Aureofacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureofacin 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 Aureofacin?
The CAS number of Aureofacin is 39390-53-9.
What is the molecular formula of Aureofacin?
The molecular formula of Aureofacin is C62H91N3O19.
What is the molecular weight of Aureofacin?
The molecular weight of Aureofacin is 1181.62 g/mol.
Where can I buy Aureofacin?
You can request a quote for Aureofacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureofacin?
Yes, KEHONG BIO provides custom synthesis services for Aureofacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.