N-MCG
TL;DR: N-MCG (CAS 79451-27-7) is a chemical compound with molecular formula C62H101N4O18+ and molecular weight 1189.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Also Known As: N-MCG, N-(N'-(2-(4'-Methylmorpholinio)ethyl)-N''-cyclohexylguanyl)amphotericin B methyl ester, Methyl (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate, methyl (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate, N,(N'-(2-(4'-Methylmorpholinio)ethyl)N''-cyclohexylguanyl)amphotericin B methyl ester
| Molecular Formula | C62H101N4O18+ |
|---|---|
| Molecular Weight | 1189.71 g/mol |
| LogP | 2.1861 |
| Topological Polar Surface Area | 328.24 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 1189.711 |
| Heavy Atoms | 84 |
| Complexity | 2214.7341 |
Chemical Identifiers
| CAS Number | 79451-27-7 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC(=NCC[N+]4(CCOCC4)C)NC5CCCCC5)O |
Product Overview
N-MCG (CAS 79451-27-7), with molecular formula C62H101N4O18+ and molecular weight 1189.71 g/mol. IUPAC: methyl (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate.
Chemical Property Profile of N-MCG
Property Insights of N-MCG
The XLogP value of 2.1861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-MCG. The TPSA of 328.24 Ų indicates high polarity, suggesting N-MCG may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-MCG has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-MCG?
The CAS number of N-MCG is 79451-27-7.
What is the molecular formula of N-MCG?
The molecular formula of N-MCG is C62H101N4O18+.
What is the molecular weight of N-MCG?
The molecular weight of N-MCG is 1189.71 g/mol.
Where can I buy N-MCG?
You can request a quote for N-MCG directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-MCG?
Yes, KEHONG BIO provides custom synthesis services for N-MCG and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.