3'-Demethyl-12-deoxyerythromycin
TL;DR: 3'-Demethyl-12-deoxyerythromycin (CAS 33442-56-7) is a chemical compound with molecular formula C36H65NO12 and molecular weight 703.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Also Known As: 3'-Demethyl-12-deoxyerythromycin, 4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
| Molecular Formula | C36H65NO12 |
|---|---|
| Molecular Weight | 703.45 g/mol |
| LogP | 2.0166 |
| Topological Polar Surface Area | 184.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 703.4507 |
| Heavy Atoms | 49 |
| Complexity | 1101.8933 |
Chemical Identifiers
| CAS Number | 33442-56-7 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C |
Product Overview
3'-Demethyl-12-deoxyerythromycin (CAS 33442-56-7), with molecular formula C36H65NO12 and molecular weight 703.45 g/mol. IUPAC: 4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
Chemical Property Profile of 3'-Demethyl-12-deoxyerythromycin
Property Insights of 3'-Demethyl-12-deoxyerythromycin
The XLogP value of 2.0166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Demethyl-12-deoxyerythromycin. The TPSA of 184.68 Ų indicates high polarity, suggesting 3'-Demethyl-12-deoxyerythromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Demethyl-12-deoxyerythromycin has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Demethyl-12-deoxyerythromycin?
The CAS number of 3'-Demethyl-12-deoxyerythromycin is 33442-56-7.
What is the molecular formula of 3'-Demethyl-12-deoxyerythromycin?
The molecular formula of 3'-Demethyl-12-deoxyerythromycin is C36H65NO12.
What is the molecular weight of 3'-Demethyl-12-deoxyerythromycin?
The molecular weight of 3'-Demethyl-12-deoxyerythromycin is 703.45 g/mol.
Where can I buy 3'-Demethyl-12-deoxyerythromycin?
You can request a quote for 3'-Demethyl-12-deoxyerythromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Demethyl-12-deoxyerythromycin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Demethyl-12-deoxyerythromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.