O-Methyl antimycin A1
TL;DR: O-Methyl antimycin A1 (CAS 119171-73-2) is a chemical compound with molecular formula C58H84N4O18 and molecular weight 1124.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate;[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Also Known As: O-Methyl antimycin A1, KST-1A0820, (2r,3s,6s,7r,8r)-3-({[3-(formylamino)-2-methoxyphenyl]carbonyl}amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylbutanoate-(2r,3s,6s,7r,8r)-3-({[3-(formylamino)-2-methoxyphenyl]carbonyl}amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate(1:1)(non-preferred name), [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate; [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
| Molecular Formula | C58H84N4O18 |
|---|---|
| Molecular Weight | 1124.58 g/mol |
| LogP | 7.5668 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1124.578 |
| Heavy Atoms | 80 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 119171-73-2 |
|---|---|
| SMILES | CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC |
| InChIKey | XEQUXGIRPDFUEY-SMBJCLKESA-N |
Product Overview
O-Methyl antimycin A1 (CAS 119171-73-2), with molecular formula C58H84N4O18 and molecular weight 1124.58 g/mol. IUPAC: [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate;[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-methoxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate.
Chemical Property Profile of O-Methyl antimycin A1
Property Insights of O-Methyl antimycin A1
The XLogP value of 7.5668 indicates that O-Methyl antimycin A1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 293.0 Ų indicates high polarity, suggesting O-Methyl antimycin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Methyl antimycin A1 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Methyl antimycin A1?
The CAS number of O-Methyl antimycin A1 is 119171-73-2.
What is the molecular formula of O-Methyl antimycin A1?
The molecular formula of O-Methyl antimycin A1 is C58H84N4O18.
What is the molecular weight of O-Methyl antimycin A1?
The molecular weight of O-Methyl antimycin A1 is 1124.58 g/mol.
Where can I buy O-Methyl antimycin A1?
You can request a quote for O-Methyl antimycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl antimycin A1?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl antimycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.