Obelmycin E
TL;DR: Obelmycin E (CAS 107826-17-5) is a chemical compound with molecular formula C40H53NO14 and molecular weight 771.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Obelmycin E, 10-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 2-Ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-4-O-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}hexopyranoside, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,11-pentahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2alpha,5beta(2R*,5R*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosy)oxy)-
| Molecular Formula | C40H53NO14 |
|---|---|
| Molecular Weight | 771.35 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 771.3466 |
| Heavy Atoms | 55 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 107826-17-5 |
|---|---|
| SMILES | CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CCC(C(O4)C)OC5CCC(C(O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O |
| InChIKey | DEMGNRGNMQOOAO-UHFFFAOYSA-N |
Product Overview
Obelmycin E (CAS 107826-17-5), with molecular formula C40H53NO14 and molecular weight 771.35 g/mol. IUPAC: 10-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Obelmycin E
Property Insights of Obelmycin E
The XLogP value of 4.5 indicates that Obelmycin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting Obelmycin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Obelmycin E has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Obelmycin E?
The CAS number of Obelmycin E is 107826-17-5.
What is the molecular formula of Obelmycin E?
The molecular formula of Obelmycin E is C40H53NO14.
What is the molecular weight of Obelmycin E?
The molecular weight of Obelmycin E is 771.35 g/mol.
Where can I buy Obelmycin E?
You can request a quote for Obelmycin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obelmycin E?
Yes, KEHONG BIO provides custom synthesis services for Obelmycin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.