Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester
TL;DR: Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester (CAS 3095-40-7) is a chemical compound with molecular formula C20H30N2O3 and molecular weight 346.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate
Also Known As: BENZOIC ACID, 4-(2-(CYCLOHEXYLAMINO)ACETAMIDO)-3,5-DIMETHYL-, PROPYL ESTER, 4-(2-(Cyclohexylamino)acetamido)-3,5-dimethylbenzoic acid propyl ester, propyl 4-[(N-cyclohexylglycyl)amino]-3,5-dimethylbenzoate, propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate, BRN 2396651
| Molecular Formula | C20H30N2O3 |
|---|---|
| Molecular Weight | 346.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.22565 |
| Heavy Atoms | 25 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 3095-40-7 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CNC2CCCCC2)C |
| InChIKey | QFXWDDQXKGACFE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester (CAS 3095-40-7), with molecular formula C20H30N2O3 and molecular weight 346.23 g/mol. IUPAC: propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester
Property Insights of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, 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, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester?
The CAS number of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester is 3095-40-7.
What is the molecular formula of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester?
The molecular formula of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester is C20H30N2O3.
What is the molecular weight of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester?
The molecular weight of Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester is 346.23 g/mol.
Where can I buy Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester?
You can request a quote for Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, 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, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-(cyclohexylamino)acetamido)-3,5-dimethyl-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.