Acetylagmatine
TL;DR: Acetylagmatine (CAS 3031-89-8) is a chemical compound with molecular formula C7H16N4O and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(diaminomethylideneamino)butyl]acetamide
Also Known As: Acetylagmatine, N-(4-guanidinobutyl)acetamide, N4-Acetylagmatine, [4-(acetylamino)butyl]guanidine, N-(4-carbamimidamidobutyl)acetamide
| Molecular Formula | C7H16N4O |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.13242 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 3031-89-8 |
|---|---|
| SMILES | CC(=O)NCCCCN=C(N)N |
| InChIKey | JMACEDIUUMWDIC-UHFFFAOYSA-N |
Product Overview
Acetylagmatine (CAS 3031-89-8), with molecular formula C7H16N4O and molecular weight 172.13 g/mol. IUPAC: N-[4-(diaminomethylideneamino)butyl]acetamide.
Chemical Property Profile of Acetylagmatine
Property Insights of Acetylagmatine
The XLogP value of -1.3 indicates that Acetylagmatine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylagmatine. Following Lipinski's Rule of Five, Acetylagmatine has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylagmatine?
The CAS number of Acetylagmatine is 3031-89-8.
What is the molecular formula of Acetylagmatine?
The molecular formula of Acetylagmatine is C7H16N4O.
What is the molecular weight of Acetylagmatine?
The molecular weight of Acetylagmatine is 172.13 g/mol.
Where can I buy Acetylagmatine?
You can request a quote for Acetylagmatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylagmatine?
Yes, KEHONG BIO provides custom synthesis services for Acetylagmatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.