Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-
TL;DR: Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- (CAS 61089-01-8) is a chemical compound with molecular formula C45H78N2O14S and molecular weight 902.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-ethylbenzenesulfonamide
Also Known As: N-(4-Ethylbenzenesulfonyl)erythromycylamine, Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-, (9S)-9-Deoxo-9-(((4-ethylphenyl)sulfonyl)amino)erythromycin, N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-ethylbenzenesulfonamide, n-[(2r,3s,4r,5s,6s,7r,9r,10r,11s,12s,13r)-10-{[(2r,3s,4r,6s)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-2-ethyl-3,4,9-trihydroxy-12-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-14-oxooxacyclotetradecan-6-yl]-4-ethylbenzenesulfonamide(non-preferred name)
| Molecular Formula | C45H78N2O14S |
|---|---|
| Molecular Weight | 902.52 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 902.5174 |
| Heavy Atoms | 62 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 61089-01-8 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([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)NS(=O)(=O)C4=CC=C(C=C4)CC)C)O)(C)O |
| InChIKey | LOIZERZUEURYQD-KKAQZSMFSA-N |
Product Overview
Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- (CAS 61089-01-8), with molecular formula C45H78N2O14S and molecular weight 902.52 g/mol. IUPAC: N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-ethylbenzenesulfonamide.
Chemical Property Profile of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-
Property Insights of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-
The XLogP value of 5.9 indicates that Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-?
The CAS number of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- is 61089-01-8.
What is the molecular formula of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-?
The molecular formula of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- is C45H78N2O14S.
What is the molecular weight of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-?
The molecular weight of Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- is 902.52 g/mol.
Where can I buy Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-?
You can request a quote for Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)-?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin, 9-deoxo-9-(((4-ethylphenyl)sulfonyl)amino)-, (9S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.