CTK5E2394
TL;DR: CTK5E2394 (CAS 76023-48-8) is a chemical compound with molecular formula C54H87N3O18 and molecular weight 1065.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 33-[4-(2,6-diaminohexanoylamino)-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-carboxylate
Also Known As: N-D-Lysylamphotericin B methyl ester, Amphotericin B, N-D-lysyl-, methyl ester, Amphotericin B, N-(2,6-diamino-1-oxohexyl)-, methyl ester, (3'(R))-, Amphotericin B,N-(2,6-diamino-1-oxohexyl)-, methyl ester, [3'(R)]- (9CI)
| Molecular Formula | C54H87N3O18 |
|---|---|
| Molecular Weight | 1065.60 g/mol |
| LogP | 0.4139 |
| Topological Polar Surface Area | 363.73 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 1065.5985 |
| Heavy Atoms | 75 |
| Complexity | 1930.2959 |
Chemical Identifiers
| CAS Number | 76023-48-8 |
|---|---|
| SMILES | CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCCN)N)O |
Product Overview
CTK5E2394 (CAS 76023-48-8), with molecular formula C54H87N3O18 and molecular weight 1065.60 g/mol. IUPAC: methyl 33-[4-(2,6-diaminohexanoylamino)-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-carboxylate.
Chemical Property Profile of CTK5E2394
Property Insights of CTK5E2394
The XLogP value of 0.4139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5E2394. The TPSA of 363.73 Ų indicates high polarity, suggesting CTK5E2394 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5E2394 has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5E2394?
The CAS number of CTK5E2394 is 76023-48-8.
What is the molecular formula of CTK5E2394?
The molecular formula of CTK5E2394 is C54H87N3O18.
What is the molecular weight of CTK5E2394?
The molecular weight of CTK5E2394 is 1065.60 g/mol.
Where can I buy CTK5E2394?
You can request a quote for CTK5E2394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E2394?
Yes, KEHONG BIO provides custom synthesis services for CTK5E2394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.