Cyclohexyl 4-aminobenzoate
TL;DR: Cyclohexyl 4-aminobenzoate (CAS 80787-45-7) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-aminobenzoate
Also Known As: cyclohexyl 4-aminobenzoate, cyclohexyl4-aminobenzoate, starbld0005295, Cyclohexyl 4-Aminobenzoate (90%), 4-Aminobenzoic acid cyclohexyl ester
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 80787-45-7 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC=C(C=C2)N |
| InChIKey | OVZZSSYVRJEJQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl 4-aminobenzoate (CAS 80787-45-7), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: cyclohexyl 4-aminobenzoate.
Chemical Property Profile of Cyclohexyl 4-aminobenzoate
Property Insights of Cyclohexyl 4-aminobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl 4-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Cyclohexyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 4-aminobenzoate has 1 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 Cyclohexyl 4-aminobenzoate?
The CAS number of Cyclohexyl 4-aminobenzoate is 80787-45-7.
What is the molecular formula of Cyclohexyl 4-aminobenzoate?
The molecular formula of Cyclohexyl 4-aminobenzoate is C13H17NO2.
What is the molecular weight of Cyclohexyl 4-aminobenzoate?
The molecular weight of Cyclohexyl 4-aminobenzoate is 219.13 g/mol.
Where can I buy Cyclohexyl 4-aminobenzoate?
You can request a quote for Cyclohexyl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.