![4-{[(Diaminomethylidene)amino]methyl}benzoic acid structure](/static/products/4165/41651-87-0.webp)
4-{[(Diaminomethylidene)amino]methyl}benzoic acid
TL;DR: 4-{[(Diaminomethylidene)amino]methyl}benzoic acid (CAS 41651-87-0) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(diaminomethylideneamino)methyl]benzoic acid
Also Known As: p-guanidinomethyl benzoic acid, starbld0007451, 4-{[(diaminomethylidene)amino]methyl}benzoic acid, 4-(guanidinomethyl)benzoic acid, 4-Guanidinomethylbenzoic Acid
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 41651-87-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C(N)N)C(=O)O |
| InChIKey | ZWKIKIJKGFTAAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-{[(Diaminomethylidene)amino]methyl}benzoic acid (CAS 41651-87-0), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 4-[(diaminomethylideneamino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid
Property Insights of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Diaminomethylidene)amino]methyl}benzoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Diaminomethylidene)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Diaminomethylidene)amino]methyl}benzoic acid has 3 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 4-{[(Diaminomethylidene)amino]methyl}benzoic acid?
The CAS number of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid is 41651-87-0.
What is the molecular formula of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid?
The molecular formula of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid is C9H11N3O2.
What is the molecular weight of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid?
The molecular weight of 4-{[(Diaminomethylidene)amino]methyl}benzoic acid is 193.09 g/mol.
Where can I buy 4-{[(Diaminomethylidene)amino]methyl}benzoic acid?
You can request a quote for 4-{[(Diaminomethylidene)amino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Diaminomethylidene)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Diaminomethylidene)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.