3-Acetyltylosin
TL;DR: 3-Acetyltylosin (CAS 63409-10-9) is a chemical compound with molecular formula C48H79NO18 and molecular weight 957.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Also Known As: 3-Acetyltylosin, 3-Acetyl tylosin, Tylosin, 3-acetate, 3-O-Acetyltylosin, [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
| Molecular Formula | C48H79NO18 |
|---|---|
| Molecular Weight | 957.53 g/mol |
| LogP | 2.4043 |
| Topological Polar Surface Area | 244.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 957.5297 |
| Heavy Atoms | 67 |
| Complexity | 1674.2578 |
Chemical Identifiers
| CAS Number | 63409-10-9 |
|---|---|
| SMILES | CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)COC4C(C(C(C(O4)C)O)OC)OC |
Product Overview
3-Acetyltylosin (CAS 63409-10-9), with molecular formula C48H79NO18 and molecular weight 957.53 g/mol. IUPAC: [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate.
Chemical Property Profile of 3-Acetyltylosin
Property Insights of 3-Acetyltylosin
The XLogP value of 2.4043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyltylosin. The TPSA of 244.74 Ų indicates high polarity, suggesting 3-Acetyltylosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Acetyltylosin has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Acetyltylosin?
The CAS number of 3-Acetyltylosin is 63409-10-9.
What is the molecular formula of 3-Acetyltylosin?
The molecular formula of 3-Acetyltylosin is C48H79NO18.
What is the molecular weight of 3-Acetyltylosin?
The molecular weight of 3-Acetyltylosin is 957.53 g/mol.
Where can I buy 3-Acetyltylosin?
You can request a quote for 3-Acetyltylosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyltylosin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyltylosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.