9-N-(2-Methoxyethyl)erythromycylamine
TL;DR: 9-N-(2-Methoxyethyl)erythromycylamine (CAS 1126-73-4) is a chemical compound with molecular formula C40H76N2O13 and molecular weight 792.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethylamino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Also Known As: 9-N-(2-Methoxyethyl)erythromycylamine, KST-1A0611, 9-Deoxo-9-((2-methoxyethyl)amino)-erythromycin, (9S)-, 9-Deoxo-9-[(2-methoxyethyl)amino]-erythromycin, (9S)-, (3r,4s,5s,6r,7r,9r,11s,12r,13s,14r)-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-10-[(2-methoxyethyl)amino]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one(non-preferred name)
| Molecular Formula | C40H76N2O13 |
|---|---|
| Molecular Weight | 792.53 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 792.5347 |
| Heavy Atoms | 55 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 1126-73-4 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)NCCOC)C)O)(C)O |
| InChIKey | KWYPBTFVCXEUKG-HBKDEBGTSA-N |
Product Overview
9-N-(2-Methoxyethyl)erythromycylamine (CAS 1126-73-4), with molecular formula C40H76N2O13 and molecular weight 792.53 g/mol. IUPAC: (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethylamino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one.
Chemical Property Profile of 9-N-(2-Methoxyethyl)erythromycylamine
Property Insights of 9-N-(2-Methoxyethyl)erythromycylamine
The XLogP value of 3.8 indicates that 9-N-(2-Methoxyethyl)erythromycylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting 9-N-(2-Methoxyethyl)erythromycylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-N-(2-Methoxyethyl)erythromycylamine 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 9-N-(2-Methoxyethyl)erythromycylamine?
The CAS number of 9-N-(2-Methoxyethyl)erythromycylamine is 1126-73-4.
What is the molecular formula of 9-N-(2-Methoxyethyl)erythromycylamine?
The molecular formula of 9-N-(2-Methoxyethyl)erythromycylamine is C40H76N2O13.
What is the molecular weight of 9-N-(2-Methoxyethyl)erythromycylamine?
The molecular weight of 9-N-(2-Methoxyethyl)erythromycylamine is 792.53 g/mol.
Where can I buy 9-N-(2-Methoxyethyl)erythromycylamine?
You can request a quote for 9-N-(2-Methoxyethyl)erythromycylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-N-(2-Methoxyethyl)erythromycylamine?
Yes, KEHONG BIO provides custom synthesis services for 9-N-(2-Methoxyethyl)erythromycylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.