p-Coumaroylagmatine
TL;DR: p-Coumaroylagmatine (CAS 7295-86-5) is a chemical compound with molecular formula C14H20N4O2 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Also Known As: p-Coumaroylagmatine, p-Cumaroylagmatin, N-(4-Guanidinobutyl)-4-hydroxycinnamide, N-(4-carbamimidamidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide, N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
| Molecular Formula | C14H20N4O2 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.15863 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 7295-86-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)NCCCCN=C(N)N)O |
| InChIKey | AKIHYQWCLCDMMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Coumaroylagmatine (CAS 7295-86-5), with molecular formula C14H20N4O2 and molecular weight 276.16 g/mol. IUPAC: N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of p-Coumaroylagmatine
Property Insights of p-Coumaroylagmatine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Coumaroylagmatine. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Coumaroylagmatine. Following Lipinski's Rule of Five, p-Coumaroylagmatine has 4 hydrogen bond donor(s) and 3 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 p-Coumaroylagmatine?
The CAS number of p-Coumaroylagmatine is 7295-86-5.
What is the molecular formula of p-Coumaroylagmatine?
The molecular formula of p-Coumaroylagmatine is C14H20N4O2.
What is the molecular weight of p-Coumaroylagmatine?
The molecular weight of p-Coumaroylagmatine is 276.16 g/mol.
Where can I buy p-Coumaroylagmatine?
You can request a quote for p-Coumaroylagmatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Coumaroylagmatine?
Yes, KEHONG BIO provides custom synthesis services for p-Coumaroylagmatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.