Megalomicin A, 4A-propanoate
TL;DR: Megalomicin A, 4A-propanoate (CAS 50692-34-7) is a chemical compound with molecular formula C47H84N2O16 and molecular weight 932.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[6,7-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Also Known As: 4'-Propionylmegalomicin A, Antibiotic XK 41B2, Megalomicin A, 4A-propanoate, 4''-O-Propionylmegalomicin A, [6-[[6,7-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
| Molecular Formula | C47H84N2O16 |
|---|---|
| Molecular Weight | 932.58 g/mol |
| LogP | 2.5427 |
| Topological Polar Surface Area | 232.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 932.5821 |
| Heavy Atoms | 65 |
| Complexity | 1581.7487 |
Chemical Identifiers
| CAS Number | 50692-34-7 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CC)(C)O)C)OC3CC(C(C(O3)C)O)N(C)C)(C)OC4CC(C(C(O4)C)O)N(C)C)C)C)O)(C)O |
Product Overview
Megalomicin A, 4A-propanoate (CAS 50692-34-7), with molecular formula C47H84N2O16 and molecular weight 932.58 g/mol. IUPAC: [6-[[6,7-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate.
Chemical Property Profile of Megalomicin A, 4A-propanoate
Property Insights of Megalomicin A, 4A-propanoate
The XLogP value of 2.5427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Megalomicin A, 4A-propanoate. The TPSA of 232.68 Ų indicates high polarity, suggesting Megalomicin A, 4A-propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Megalomicin A, 4A-propanoate has 5 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 Megalomicin A, 4A-propanoate?
The CAS number of Megalomicin A, 4A-propanoate is 50692-34-7.
What is the molecular formula of Megalomicin A, 4A-propanoate?
The molecular formula of Megalomicin A, 4A-propanoate is C47H84N2O16.
What is the molecular weight of Megalomicin A, 4A-propanoate?
The molecular weight of Megalomicin A, 4A-propanoate is 932.58 g/mol.
Where can I buy Megalomicin A, 4A-propanoate?
You can request a quote for Megalomicin A, 4A-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megalomicin A, 4A-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Megalomicin A, 4A-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.