抗霉素A
TL;DR: 抗霉素A (CAS 1397-94-0) is a chemical compound with molecular formula C28H40N2O9 and molecular weight 548.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
抗霉素A
[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Also Known As: Antimycin A, antimycin A1, Antipiricullin, Fintrol, Virosin
| Molecular Formula | C28H40N2O9 |
|---|---|
| Molecular Weight | 548.27 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.2734 |
| Heavy Atoms | 39 |
| Complexity | 849.0 |
| Melting Point | 149.0 °C |
| Solubility | Soluble in alcohol, ether, acetone, chloroform; slightly soluble in benzene, carbon tetrachloride, petroleum ether. Insoluble in water. |
| Vapor Pressure | 0.00001 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 1397-94-0 |
|---|---|
| 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)O)C)OC(=O)CC(C)C |
| InChIKey | UIFFUZWRFRDZJC-SBOOETFBSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
抗霉素A (CAS 1397-94-0), with molecular formula C28H40N2O9 and molecular weight 548.27 g/mol. IUPAC: [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate.
Chemical Property Profile of 抗霉素A
Property Insights of 抗霉素A
The XLogP value of 5.3 indicates that 抗霉素A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 抗霉素A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 抗霉素A has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 抗霉素A?
The CAS number of 抗霉素A is 1397-94-0.
What is the molecular formula of 抗霉素A?
The molecular formula of 抗霉素A is C28H40N2O9.
What is the molecular weight of 抗霉素A?
The molecular weight of 抗霉素A is 548.27 g/mol.
Where can I buy 抗霉素A?
You can request a quote for 抗霉素A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 抗霉素A?
Yes, KEHONG BIO provides custom synthesis services for 抗霉素A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.