Methyl 3-carbamimidoylbenzoate
TL;DR: Methyl 3-carbamimidoylbenzoate (CAS 15676-11-6) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-carbamimidoylbenzoate
Also Known As: Methyl 3-carbamimidoylbenzoate, 3-(aminoiminomethyl)Benzoic acid methyl ester, 3-Methoxycarbonyl Benzamidine Hydrochloride, G54691
Technical Specifications
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.07423 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.07423 Da |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| SMILES | COC(=O)C1=CC=CC(=C1)C(=N)N |
| InChIKey | PRAYXRLPTMXYEZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-carbamimidoylbenzoate
Property Insights of Methyl 3-carbamimidoylbenzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-carbamimidoylbenzoate. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-carbamimidoylbenzoate. Following Lipinski's Rule of Five, Methyl 3-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 Methyl 3-carbamimidoylbenzoate?
The CAS number of Methyl 3-carbamimidoylbenzoate is 15676-11-6.
What is the molecular formula of Methyl 3-carbamimidoylbenzoate?
The molecular formula of Methyl 3-carbamimidoylbenzoate is C9H10N2O2.
What is the molecular weight of Methyl 3-carbamimidoylbenzoate?
The molecular weight of Methyl 3-carbamimidoylbenzoate is 178.07423 g/mol.
Where can I buy Methyl 3-carbamimidoylbenzoate?
You can request a quote for Methyl 3-carbamimidoylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-carbamimidoylbenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-carbamimidoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.