A1EJK
TL;DR: A1EJK (CAS 170473-07-1) is a chemical compound with molecular formula C45H68N4OP+ and molecular weight 711.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium
Also Known As: WIN 64338 HYDROCHLORIDE, BRD-K22662557-300-01-7, (S,E)-Tributyl(4-(2-(2,3-dicyclohexylguanidino)-3-(naphthalen-2-yl)propanamido)benzyl)phosphonium, 2-(N'',N''''-Dicyclohexyl-guanidino)-3-naphthalen-2-yl-N-[4-(tributyl-lambda*5*-phosphanylmethyl)-phenyl]-propionamide; chloride, tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium
| Molecular Formula | C45H68N4OP+ |
|---|---|
| Molecular Weight | 711.51 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 711.51306 |
| Heavy Atoms | 51 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 170473-07-1 |
|---|---|
| SMILES | CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=NC4CCCCC4)NC5CCCCC5 |
| InChIKey | UKMJWGFHXMGRNG-QLKFWGTOSA-O |
Product Overview
A1EJK (CAS 170473-07-1), with molecular formula C45H68N4OP+ and molecular weight 711.51 g/mol. IUPAC: tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium.
Chemical Property Profile of A1EJK
Property Insights of A1EJK
The XLogP value of 10.5 indicates that A1EJK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A1EJK. Following Lipinski's Rule of Five, A1EJK has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1EJK?
The CAS number of A1EJK is 170473-07-1.
What is the molecular formula of A1EJK?
The molecular formula of A1EJK is C45H68N4OP+.
What is the molecular weight of A1EJK?
The molecular weight of A1EJK is 711.51 g/mol.
Where can I buy A1EJK?
You can request a quote for A1EJK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1EJK?
Yes, KEHONG BIO provides custom synthesis services for A1EJK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.