4-Amidinophenylbenzoate
TL;DR: 4-Amidinophenylbenzoate (CAS 83797-05-1) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-carbamimidoylbenzoate
Also Known As: 4-Amidinophenylbenzoate, phenyl 4-carbamimidoylbenzoate, 4-Amidinobenzoesaeurephenylester, 4-Carbamimidoyl-benzoic acid phenyl ester, 4-(aminoiminomethyl)-benzoic acid phenyl ester
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 83797-05-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=N)N |
| InChIKey | IGTONLPXDLZDKC-UHFFFAOYSA-N |
Product Overview
4-Amidinophenylbenzoate (CAS 83797-05-1), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: phenyl 4-carbamimidoylbenzoate.
Chemical Property Profile of 4-Amidinophenylbenzoate
Property Insights of 4-Amidinophenylbenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amidinophenylbenzoate. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amidinophenylbenzoate. Following Lipinski's Rule of Five, 4-Amidinophenylbenzoate 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 4-Amidinophenylbenzoate?
The CAS number of 4-Amidinophenylbenzoate is 83797-05-1.
What is the molecular formula of 4-Amidinophenylbenzoate?
The molecular formula of 4-Amidinophenylbenzoate is C14H12N2O2.
What is the molecular weight of 4-Amidinophenylbenzoate?
The molecular weight of 4-Amidinophenylbenzoate is 240.09 g/mol.
Where can I buy 4-Amidinophenylbenzoate?
You can request a quote for 4-Amidinophenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amidinophenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amidinophenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.