N-Demethylerythromycin A
TL;DR: N-Demethylerythromycin A (CAS 992-62-1) is a chemical compound with molecular formula C36H65NO13 and molecular weight 719.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Also Known As: N-Demethylerythromycin A, 3'-Demethylerythromyon, N-Demethyl Erythromycin A, Erythromyon, 3'-demethyl-, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
| Molecular Formula | C36H65NO13 |
|---|---|
| Molecular Weight | 719.45 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 719.4456 |
| Heavy Atoms | 50 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 992-62-1 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O |
| InChIKey | TXOOBKBDBNRQCF-UHFFFAOYSA-N |
Product Overview
N-Demethylerythromycin A (CAS 992-62-1), with molecular formula C36H65NO13 and molecular weight 719.45 g/mol. IUPAC: 14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
Chemical Property Profile of N-Demethylerythromycin A
Property Insights of N-Demethylerythromycin A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Demethylerythromycin A. The TPSA of 203.0 Ų indicates high polarity, suggesting N-Demethylerythromycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Demethylerythromycin A has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Demethylerythromycin A?
The CAS number of N-Demethylerythromycin A is 992-62-1.
What is the molecular formula of N-Demethylerythromycin A?
The molecular formula of N-Demethylerythromycin A is C36H65NO13.
What is the molecular weight of N-Demethylerythromycin A?
The molecular weight of N-Demethylerythromycin A is 719.45 g/mol.
Where can I buy N-Demethylerythromycin A?
You can request a quote for N-Demethylerythromycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Demethylerythromycin A?
Yes, KEHONG BIO provides custom synthesis services for N-Demethylerythromycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.