Isoleucomycin A5
TL;DR: Isoleucomycin A5 (CAS 61799-76-6) is a chemical compound with molecular formula C39H65NO14 and molecular weight 771.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[[(10Z,12E)-4,14-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Also Known As: Isoleucomycin A5, [6-[6-[[(10Z,12E)-4,14-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate, Leucomycin V, 9,10-didehydro-9-deoxy-10,13-dihydro-13-hydroxy-, 4B-butanoate, (13S)-
| Molecular Formula | C39H65NO14 |
|---|---|
| Molecular Weight | 771.44 g/mol |
| LogP | 2.1966 |
| Topological Polar Surface Area | 199.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 771.4405 |
| Heavy Atoms | 54 |
| Complexity | 1243.6138 |
Chemical Identifiers
| CAS Number | 61799-76-6 |
|---|---|
| SMILES | CCCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(/C=C\C=C\C(CC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C |
Product Overview
Isoleucomycin A5 (CAS 61799-76-6), with molecular formula C39H65NO14 and molecular weight 771.44 g/mol. IUPAC: [6-[6-[[(10Z,12E)-4,14-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate.
Chemical Property Profile of Isoleucomycin A5
Property Insights of Isoleucomycin A5
The XLogP value of 2.1966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoleucomycin A5. The TPSA of 199.98 Ų indicates high polarity, suggesting Isoleucomycin A5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoleucomycin A5 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoleucomycin A5?
The CAS number of Isoleucomycin A5 is 61799-76-6.
What is the molecular formula of Isoleucomycin A5?
The molecular formula of Isoleucomycin A5 is C39H65NO14.
What is the molecular weight of Isoleucomycin A5?
The molecular weight of Isoleucomycin A5 is 771.44 g/mol.
Where can I buy Isoleucomycin A5?
You can request a quote for Isoleucomycin A5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoleucomycin A5?
Yes, KEHONG BIO provides custom synthesis services for Isoleucomycin A5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.