4-Amidinobenzamide
TL;DR: 4-Amidinobenzamide (CAS 54050-86-1) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamimidoylbenzamide
Also Known As: 4-amidinobenzamide, p-Amidinobenzamide, 4-carbamimidoylbenzamide, 4-carbamoylbenzamidine, Maybridge4_003678
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 54050-86-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=N)N)C(=O)N |
| InChIKey | HKMIWYWBIYCXFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amidinobenzamide (CAS 54050-86-1), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: 4-carbamimidoylbenzamide.
Chemical Property Profile of 4-Amidinobenzamide
Property Insights of 4-Amidinobenzamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amidinobenzamide. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amidinobenzamide. Following Lipinski's Rule of Five, 4-Amidinobenzamide 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 4-Amidinobenzamide?
The CAS number of 4-Amidinobenzamide is 54050-86-1.
What is the molecular formula of 4-Amidinobenzamide?
The molecular formula of 4-Amidinobenzamide is C8H9N3O.
What is the molecular weight of 4-Amidinobenzamide?
The molecular weight of 4-Amidinobenzamide is 163.07 g/mol.
Where can I buy 4-Amidinobenzamide?
You can request a quote for 4-Amidinobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amidinobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amidinobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.