Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester
TL;DR: Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester (CAS 100811-82-3) is a chemical compound with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclohexylamino)butan-2-yl 4-aminobenzoate
Also Known As: 4-(cyclohexylamino)butan-2-yl 4-aminobenzoate, p-Aminobenzoic acid (1-cyclohexylaminomethyl)-2-propyl ester, 4-(cyclohexylamino)butan-2-yl4-aminobenzoate, BENZOIC ACID, p-AMINO-, (1-CYCLOHEXYLAMINOMETHYL)-2-PROPYL ESTER, RefChem:1079262
| Molecular Formula | C17H26N2O2 |
|---|---|
| Molecular Weight | 290.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.19943 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 100811-82-3 |
|---|---|
| SMILES | CC(CCNC1CCCCC1)OC(=O)C2=CC=C(C=C2)N |
| InChIKey | PXSVOEGAOIDENJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester (CAS 100811-82-3), with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol. IUPAC: 4-(cyclohexylamino)butan-2-yl 4-aminobenzoate.
Chemical Property Profile of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester
Property Insights of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester
The XLogP value of 3.3 indicates that Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester has 2 hydrogen bond donor(s) and 4 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 Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester?
The CAS number of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester is 100811-82-3.
What is the molecular formula of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester?
The molecular formula of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester is C17H26N2O2.
What is the molecular weight of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester?
The molecular weight of Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester is 290.20 g/mol.
Where can I buy Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester?
You can request a quote for Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, (1-cyclohexylaminomethyl)-2-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.