Ozogamicin
TL;DR: Ozogamicin (CAS 1452145-13-9) is a chemical compound with molecular formula C73H97IN6O25S3 and molecular weight 1680.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-6-[[(2S,5Z,9R,13E)-13-[2-[[4-[(2E)-2-[1-[4-(4-amino-4-oxobutoxy)phenyl]ethylidene]hydrazinyl]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethylidene]-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-4-hydroxy-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
Also Known As: Ozogamicin [INN], AcBut, ozogamicina, ozogamicine, ozogamicinum
| Molecular Formula | C73H97IN6O25S3 |
|---|---|
| Molecular Weight | 1680.47 g/mol |
| LogP | 4.53112 |
| Topological Polar Surface Area | 410.5 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 31 |
| Exact Mass | 1680.4711 |
| Heavy Atoms | 108 |
| Complexity | 3796.9294 |
Chemical Identifiers
| CAS Number | 1452145-13-9 |
|---|---|
| SMILES | CCN([C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C\CSSC(C)(C)CC(=O)N/N=C(\C)/C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NO[C@H]6C[C@@H]([C@@H]([C@H](O6)C)SC(=O)C7=C(C(=C(C(=C7OC)OC)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)OC)O)I)C)O)O)C(=O)C |
Product Overview
Ozogamicin (CAS 1452145-13-9), with molecular formula C73H97IN6O25S3 and molecular weight 1680.47 g/mol. IUPAC: S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-6-[[(2S,5Z,9R,13E)-13-[2-[[4-[(2E)-2-[1-[4-(4-amino-4-oxobutoxy)phenyl]ethylidene]hydrazinyl]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethylidene]-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-4-hydroxy-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate.
Chemical Property Profile of Ozogamicin
Property Insights of Ozogamicin
The XLogP value of 4.53112 indicates that Ozogamicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 410.5 Ų indicates high polarity, suggesting Ozogamicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ozogamicin has 9 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ozogamicin?
The CAS number of Ozogamicin is 1452145-13-9.
What is the molecular formula of Ozogamicin?
The molecular formula of Ozogamicin is C73H97IN6O25S3.
What is the molecular weight of Ozogamicin?
The molecular weight of Ozogamicin is 1680.47 g/mol.
Where can I buy Ozogamicin?
You can request a quote for Ozogamicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ozogamicin?
Yes, KEHONG BIO provides custom synthesis services for Ozogamicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.