20-Dihydro-20-O-phenyl desmycosin
TL;DR: 20-Dihydro-20-O-phenyl desmycosin (CAS 91661-60-8) is a chemical compound with molecular formula C45H71NO14 and molecular weight 849.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
Also Known As: 20-Dihydro-20-O-phenyl desmycosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-phenoxy-tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-.alpha.-L-ribo-hexopyranosyl)-20-deoxo-20-phenoxy-tylosin, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
| Molecular Formula | C45H71NO14 |
|---|---|
| Molecular Weight | 849.49 g/mol |
| LogP | 3.4425 |
| Topological Polar Surface Area | 192.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 849.4874 |
| Heavy Atoms | 60 |
| Complexity | 1526.0853 |
Chemical Identifiers
| CAS Number | 91661-60-8 |
|---|---|
| SMILES | CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O)N(C)C)O)CCOC3=CC=CC=C3)C)\C)COC4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC |
Product Overview
20-Dihydro-20-O-phenyl desmycosin (CAS 91661-60-8), with molecular formula C45H71NO14 and molecular weight 849.49 g/mol. IUPAC: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione.
Chemical Property Profile of 20-Dihydro-20-O-phenyl desmycosin
Property Insights of 20-Dihydro-20-O-phenyl desmycosin
The XLogP value of 3.4425 indicates that 20-Dihydro-20-O-phenyl desmycosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.14 Ų indicates high polarity, suggesting 20-Dihydro-20-O-phenyl desmycosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20-Dihydro-20-O-phenyl desmycosin has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-Dihydro-20-O-phenyl desmycosin?
The CAS number of 20-Dihydro-20-O-phenyl desmycosin is 91661-60-8.
What is the molecular formula of 20-Dihydro-20-O-phenyl desmycosin?
The molecular formula of 20-Dihydro-20-O-phenyl desmycosin is C45H71NO14.
What is the molecular weight of 20-Dihydro-20-O-phenyl desmycosin?
The molecular weight of 20-Dihydro-20-O-phenyl desmycosin is 849.49 g/mol.
Where can I buy 20-Dihydro-20-O-phenyl desmycosin?
You can request a quote for 20-Dihydro-20-O-phenyl desmycosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Dihydro-20-O-phenyl desmycosin?
Yes, KEHONG BIO provides custom synthesis services for 20-Dihydro-20-O-phenyl desmycosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.