ACEFYLLINE PIPERAZINE
TL;DR: ACEFYLLINE PIPERAZINE (CAS 1399-36-6) is a chemical compound with molecular formula C22H28N10O8 and molecular weight 560.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[7-(carboxymethyl)-3-methyl-2,6-dioxopurin-1-yl]ethyl]-3-methyl-2,6-dioxopurin-7-yl]acetic acid;piperazine
Also Known As: ACEFYLLINE PIPERAZINE, 2-[1-[2-[7-(carboxymethyl)-3-methyl-2,6-dioxopurin-1-yl]ethyl]-3-methyl-2,6-dioxopurin-7-yl]acetic acid;piperazine, 2-[1-[2-[7-(carboxymethyl)-3-methyl-2,6-dioxopurin-1-yl]ethyl]-3-methyl-2,6-dioxopurin-7-yl]acetic acid; piperazine
| Molecular Formula | C22H28N10O8 |
|---|---|
| Molecular Weight | 560.21 g/mol |
| LogP | -3.84 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.20917 |
| Heavy Atoms | 40 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 1399-36-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCN3C(=O)C4=C(N=CN4CC(=O)O)N(C3=O)C)N(C=N2)CC(=O)O.C1CNCCN1 |
| InChIKey | XTZJCBDYMVRBKJ-UHFFFAOYSA-N |
Product Overview
ACEFYLLINE PIPERAZINE (CAS 1399-36-6), with molecular formula C22H28N10O8 and molecular weight 560.21 g/mol. IUPAC: 2-[1-[2-[7-(carboxymethyl)-3-methyl-2,6-dioxopurin-1-yl]ethyl]-3-methyl-2,6-dioxopurin-7-yl]acetic acid;piperazine.
Chemical Property Profile of ACEFYLLINE PIPERAZINE
Property Insights of ACEFYLLINE PIPERAZINE
The XLogP value of -3.84 indicates that ACEFYLLINE PIPERAZINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting ACEFYLLINE PIPERAZINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ACEFYLLINE PIPERAZINE has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ACEFYLLINE PIPERAZINE?
The CAS number of ACEFYLLINE PIPERAZINE is 1399-36-6.
What is the molecular formula of ACEFYLLINE PIPERAZINE?
The molecular formula of ACEFYLLINE PIPERAZINE is C22H28N10O8.
What is the molecular weight of ACEFYLLINE PIPERAZINE?
The molecular weight of ACEFYLLINE PIPERAZINE is 560.21 g/mol.
Where can I buy ACEFYLLINE PIPERAZINE?
You can request a quote for ACEFYLLINE PIPERAZINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ACEFYLLINE PIPERAZINE?
Yes, KEHONG BIO provides custom synthesis services for ACEFYLLINE PIPERAZINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.