Phenylmethyl 4-(aminoiminomethyl)benzoate
TL;DR: Phenylmethyl 4-(aminoiminomethyl)benzoate (CAS 14209-67-7) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-carbamimidoylbenzoate
Also Known As: Benzyl 4-amidinobenzoate, p-Amidinobenzoic acid benzyl ester, benzyl 4-carbamimidoylbenzoate, 4-Amidinobenzoic acid benzyl ester, BENZOIC ACID, p-AMIDINO-, BENZYL ESTER
| Molecular Formula | C15H14N2O2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.10553 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 14209-67-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=N)N |
| InChIKey | WGYXJBNWUHLUEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylmethyl 4-(aminoiminomethyl)benzoate (CAS 14209-67-7), with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol. IUPAC: benzyl 4-carbamimidoylbenzoate.
Chemical Property Profile of Phenylmethyl 4-(aminoiminomethyl)benzoate
Property Insights of Phenylmethyl 4-(aminoiminomethyl)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl 4-(aminoiminomethyl)benzoate. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl 4-(aminoiminomethyl)benzoate. Following Lipinski's Rule of Five, Phenylmethyl 4-(aminoiminomethyl)benzoate 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
Frequently Asked Questions
What is the CAS number of Phenylmethyl 4-(aminoiminomethyl)benzoate?
The CAS number of Phenylmethyl 4-(aminoiminomethyl)benzoate is 14209-67-7.
What is the molecular formula of Phenylmethyl 4-(aminoiminomethyl)benzoate?
The molecular formula of Phenylmethyl 4-(aminoiminomethyl)benzoate is C15H14N2O2.
What is the molecular weight of Phenylmethyl 4-(aminoiminomethyl)benzoate?
The molecular weight of Phenylmethyl 4-(aminoiminomethyl)benzoate is 254.11 g/mol.
Where can I buy Phenylmethyl 4-(aminoiminomethyl)benzoate?
You can request a quote for Phenylmethyl 4-(aminoiminomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 4-(aminoiminomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 4-(aminoiminomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.