Dirithromycin
TL;DR: Dirithromycin (CAS 62013-04-1) is a chemical compound with molecular formula C42H78N2O14 and molecular weight 834.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3R,6R,7S,8R,9S,10S,12S,13R,15S,17S)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,12-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
Also Known As: Dirithromycin, (1R,2S,4S,5S,6R,7S,8R,11R,12R,13R,15S,17S)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-2,12-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
| Molecular Formula | C42H78N2O14 |
|---|---|
| Molecular Weight | 834.55 g/mol |
| LogP | 2.2017 |
| Topological Polar Surface Area | 196.33 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 834.5453 |
| Heavy Atoms | 58 |
| Complexity | 1292.2551 |
Chemical Identifiers
| CAS Number | 62013-04-1 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)C)(C)O)N[C@@H](O2)COCCOC)C)(C)O |
Product Overview
Dirithromycin (CAS 62013-04-1), with molecular formula C42H78N2O14 and molecular weight 834.55 g/mol. IUPAC: (1R,2R,3R,6R,7S,8R,9S,10S,12S,13R,15S,17S)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,12-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one.
Chemical Property Profile of Dirithromycin
Property Insights of Dirithromycin
The XLogP value of 2.2017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dirithromycin. The TPSA of 196.33 Ų indicates high polarity, suggesting Dirithromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dirithromycin has 5 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 Dirithromycin?
The CAS number of Dirithromycin is 62013-04-1.
What is the molecular formula of Dirithromycin?
The molecular formula of Dirithromycin is C42H78N2O14.
What is the molecular weight of Dirithromycin?
The molecular weight of Dirithromycin is 834.55 g/mol.
Where can I buy Dirithromycin?
You can request a quote for Dirithromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dirithromycin?
Yes, KEHONG BIO provides custom synthesis services for Dirithromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.