Midecamycin A3
TL;DR: Midecamycin A3 (CAS 36025-69-1) is a chemical compound with molecular formula C41H65NO15 and molecular weight 811.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5S,6S,7R,9R,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Also Known As: Midecamycin A3
| Molecular Formula | C41H65NO15 |
|---|---|
| Molecular Weight | 811.44 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 811.4354 |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 36025-69-1 |
|---|---|
| SMILES | CCC(=O)O[C@@H]1CC(=O)O[C@@H](CC=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)C |
| InChIKey | POOQYAXQHUANTP-OHXOJTTESA-N |
Product Overview
Midecamycin A3 (CAS 36025-69-1), with molecular formula C41H65NO15 and molecular weight 811.44 g/mol. IUPAC: [(4R,5S,6S,7R,9R,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate.
Chemical Property Profile of Midecamycin A3
Property Insights of Midecamycin A3
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Midecamycin A3. The TPSA of 203.0 Ų indicates high polarity, suggesting Midecamycin A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Midecamycin A3 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Midecamycin A3?
The CAS number of Midecamycin A3 is 36025-69-1.
What is the molecular formula of Midecamycin A3?
The molecular formula of Midecamycin A3 is C41H65NO15.
What is the molecular weight of Midecamycin A3?
The molecular weight of Midecamycin A3 is 811.44 g/mol.
Where can I buy Midecamycin A3?
You can request a quote for Midecamycin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Midecamycin A3?
Yes, KEHONG BIO provides custom synthesis services for Midecamycin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.