Obelmycin A
TL;DR: Obelmycin A (CAS 107807-18-1) is a chemical compound with molecular formula C28H33NO11 and molecular weight 559.2054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Obelmycin A, 7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-Ethyl-3,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,7,8,11-hexahydroxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7alpha,8beta,10beta))-
Technical Specifications
| Molecular Formula | C28H33NO11 |
| Molecular Weight | 559.2054 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 559.2054 Da |
| Heavy Atoms | 40 |
| Complexity | 980.0 |
| SMILES | CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O |
| InChIKey | UULLJCRFYRZYCE-UHFFFAOYSA-N |
Chemical Property Profile of Obelmycin A
Property Insights of Obelmycin A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obelmycin A. The TPSA of 197.0 Ų indicates high polarity, suggesting Obelmycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Obelmycin A has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Obelmycin A?
The CAS number of Obelmycin A is 107807-18-1.
What is the molecular formula of Obelmycin A?
The molecular formula of Obelmycin A is C28H33NO11.
What is the molecular weight of Obelmycin A?
The molecular weight of Obelmycin A is 559.2054 g/mol.
Where can I buy Obelmycin A?
You can request a quote for Obelmycin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Obelmycin A?
Yes, CoreyChem provides custom synthesis services for Obelmycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.