De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal
TL;DR: De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal (CAS 98641-05-5) is a chemical compound with molecular formula C36H63NO12 and molecular weight 701.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Also Known As: ME 34, De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal, (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one, 8,9-Didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxyerythromycin, Erythromycin, 8,9-didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxy-
| Molecular Formula | C36H63NO12 |
|---|---|
| Molecular Weight | 701.43 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 701.435 |
| Heavy Atoms | 49 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 98641-05-5 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)NC)O)C)C)C)O)(C)O |
| InChIKey | MJNFBHNVYNPCKI-UCUMWJIBSA-N |
Product Overview
De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal (CAS 98641-05-5), with molecular formula C36H63NO12 and molecular weight 701.43 g/mol. IUPAC: (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one.
Chemical Property Profile of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal
Property Insights of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal. The TPSA of 175.0 Ų indicates high polarity, suggesting De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal?
The CAS number of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal is 98641-05-5.
What is the molecular formula of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal?
The molecular formula of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal is C36H63NO12.
What is the molecular weight of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal?
The molecular weight of De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal is 701.43 g/mol.
Where can I buy De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal?
You can request a quote for De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal?
Yes, KEHONG BIO provides custom synthesis services for De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.