N-(4-甲基苯磺酰基)红霉胺
TL;DR: N-(4-甲基苯磺酰基)红霉胺 (CAS 56998-46-0) is a chemical compound with molecular formula C44H76N2O14S and molecular weight 888.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-甲基苯磺酰基)红霉胺
N-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-methylbenzenesulfonamide
Also Known As: N-(4-Methylbenzenesulfonyl)erythromycylamine, (9S)-9-Deoxo-9-(((4-methylphenyl)sulfonyl)amino)erythromycin, Erythromycin, 9-deoxo-9-(((4-methylphenyl)sulfonyl)amino)-, (9S)-, n-(10-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-2-ethyl-3,4,9-trihydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-14-oxooxacyclotetradecan-6-yl)-4-methylbenzenesulfonamide(non-preferred name), N-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-methylbenzenesulfonamide
| Molecular Formula | C44H76N2O14S |
|---|---|
| Molecular Weight | 888.50 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 888.5017 |
| Heavy Atoms | 61 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 56998-46-0 |
|---|---|
| SMILES | CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)NS(=O)(=O)C4=CC=C(C=C4)C)C)O)(C)O |
| InChIKey | PKZJCCQFQFWULK-UHFFFAOYSA-N |
Product Overview
N-(4-甲基苯磺酰基)红霉胺 (CAS 56998-46-0), with molecular formula C44H76N2O14S and molecular weight 888.50 g/mol. IUPAC: N-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(4-甲基苯磺酰基)红霉胺
Property Insights of N-(4-甲基苯磺酰基)红霉胺
The XLogP value of 5.4 indicates that N-(4-甲基苯磺酰基)红霉胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting N-(4-甲基苯磺酰基)红霉胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-甲基苯磺酰基)红霉胺 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 N-(4-甲基苯磺酰基)红霉胺?
The CAS number of N-(4-甲基苯磺酰基)红霉胺 is 56998-46-0.
What is the molecular formula of N-(4-甲基苯磺酰基)红霉胺?
The molecular formula of N-(4-甲基苯磺酰基)红霉胺 is C44H76N2O14S.
What is the molecular weight of N-(4-甲基苯磺酰基)红霉胺?
The molecular weight of N-(4-甲基苯磺酰基)红霉胺 is 888.50 g/mol.
Where can I buy N-(4-甲基苯磺酰基)红霉胺?
You can request a quote for N-(4-甲基苯磺酰基)红霉胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-甲基苯磺酰基)红霉胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4-甲基苯磺酰基)红霉胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.