roxithromycin
TL;DR: roxithromycin (CAS 134931-00-3) is a chemical compound with molecular formula C41H76N2O15 and molecular weight 836.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Also Known As: roxithromycin, Roxithromycine, Roxithromycinum, Roxitromicina, Rulide
| Molecular Formula | C41H76N2O15 |
|---|---|
| Molecular Weight | 836.52 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 216.89 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 836.5246 |
| Heavy Atoms | 58 |
| Complexity | 1303.8127 |
Chemical Identifiers
| CAS Number | 134931-00-3 |
|---|---|
| SMILES | CCC1C(C(C(/C(=N/OCOCCOC)/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)C)O)(C)O |
Product Overview
roxithromycin (CAS 134931-00-3), with molecular formula C41H76N2O15 and molecular weight 836.52 g/mol. IUPAC: (10E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one.
Chemical Property Profile of roxithromycin
Property Insights of roxithromycin
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for roxithromycin. The TPSA of 216.89 Ų indicates high polarity, suggesting roxithromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, roxithromycin has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of roxithromycin?
The CAS number of roxithromycin is 134931-00-3.
What is the molecular formula of roxithromycin?
The molecular formula of roxithromycin is C41H76N2O15.
What is the molecular weight of roxithromycin?
The molecular weight of roxithromycin is 836.52 g/mol.
Where can I buy roxithromycin?
You can request a quote for roxithromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for roxithromycin?
Yes, KEHONG BIO provides custom synthesis services for roxithromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.