Ethyl 4-carbamimidoylbenzoate
TL;DR: Ethyl 4-carbamimidoylbenzoate (CAS 15676-12-7) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-carbamimidoylbenzoate
Also Known As: ethyl 4-carbamimidoylbenzoate, p-carbethoxy-benzamidine, ETHYL 4-AMIDINOBENZOATE, 4-Amidinobenzoic acid ethyl ester, Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.08987 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.08987 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=N)N |
| InChIKey | SEBINEYTXBJXOB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-carbamimidoylbenzoate
Property Insights of Ethyl 4-carbamimidoylbenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-carbamimidoylbenzoate. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-carbamimidoylbenzoate. Following Lipinski's Rule of Five, Ethyl 4-carbamimidoylbenzoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-carbamimidoylbenzoate?
The CAS number of Ethyl 4-carbamimidoylbenzoate is 15676-12-7.
What is the molecular formula of Ethyl 4-carbamimidoylbenzoate?
The molecular formula of Ethyl 4-carbamimidoylbenzoate is C10H12N2O2.
What is the molecular weight of Ethyl 4-carbamimidoylbenzoate?
The molecular weight of Ethyl 4-carbamimidoylbenzoate is 192.08987 g/mol.
Where can I buy Ethyl 4-carbamimidoylbenzoate?
You can request a quote for Ethyl 4-carbamimidoylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-carbamimidoylbenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-carbamimidoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.