amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-
TL;DR: amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- (CAS 87263-93-2) is a chemical compound with molecular formula C55H90N4O17 and molecular weight 1078.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Also Known As: DAPEG, Guanido-amphotericin B, N-(N'-(3-Dimethylaminopropyl)-N''-ethylguanyl)amphotericin B, Amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-, (1R,3S,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(Dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
| Molecular Formula | C55H90N4O17 |
|---|---|
| Molecular Weight | 1078.63 g/mol |
| LogP | 1.2598 |
| Topological Polar Surface Area | 333.25 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 1078.6301 |
| Heavy Atoms | 76 |
| Complexity | 1963.1708 |
Chemical Identifiers
| CAS Number | 87263-93-2 |
|---|---|
| SMILES | CCNC(=NCCCN(C)C)N[C@H]1[C@@H]([C@H](O[C@H]([C@H]1O)O[C@@H]\2C[C@H]3[C@@H]([C@H](C[C@](O3)(C[C@H](CC(C(CCC(C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)O)C(=O)O)C)O |
Product Overview
amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- (CAS 87263-93-2), with molecular formula C55H90N4O17 and molecular weight 1078.63 g/mol. IUPAC: (1R,3S,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.
Chemical Property Profile of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-
Property Insights of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-
The XLogP value of 1.2598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-. The TPSA of 333.25 Ų indicates high polarity, suggesting amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- has 13 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 amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-?
The CAS number of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- is 87263-93-2.
What is the molecular formula of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-?
The molecular formula of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- is C55H90N4O17.
What is the molecular weight of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-?
The molecular weight of amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- is 1078.63 g/mol.
Where can I buy amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-?
You can request a quote for amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-?
Yes, KEHONG BIO provides custom synthesis services for amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.