Aminopotentidine oxalate
TL;DR: Aminopotentidine oxalate (CAS 16547-16-3) is a chemical compound with molecular formula C28H37N7O6 and molecular weight 567.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide;oxalic acid
Also Known As: Aminopotentidine, AMINOPOTENTIDINE OXALATE, 4-amino-n-(2-{[(z)-(cyanoamino)({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)methylidene]amino}ethyl)benzamide ethanedioate(1:1), 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide;oxalic acid, Benzamide, 4-amino-N-(2-(((cyanoamino)((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)methylene)amino)ethyl)-, ethanedioate (1:1)
| Molecular Formula | C28H37N7O6 |
|---|---|
| Molecular Weight | 567.28 g/mol |
| LogP | 1.62548 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 567.2805 |
| Heavy Atoms | 41 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 16547-16-3 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C(NCCNC(=O)C3=CC=C(C=C3)N)NC#N.C(=O)(C(=O)O)O |
| InChIKey | GQKBDAXMEZIMRZ-UHFFFAOYSA-N |
Product Overview
Aminopotentidine oxalate (CAS 16547-16-3), with molecular formula C28H37N7O6 and molecular weight 567.28 g/mol. IUPAC: 4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide;oxalic acid.
Chemical Property Profile of Aminopotentidine oxalate
Property Insights of Aminopotentidine oxalate
The XLogP value of 1.62548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminopotentidine oxalate. The TPSA of 202.0 Ų indicates high polarity, suggesting Aminopotentidine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aminopotentidine oxalate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aminopotentidine oxalate?
The CAS number of Aminopotentidine oxalate is 16547-16-3.
What is the molecular formula of Aminopotentidine oxalate?
The molecular formula of Aminopotentidine oxalate is C28H37N7O6.
What is the molecular weight of Aminopotentidine oxalate?
The molecular weight of Aminopotentidine oxalate is 567.28 g/mol.
Where can I buy Aminopotentidine oxalate?
You can request a quote for Aminopotentidine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminopotentidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for Aminopotentidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.