4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester
TL;DR: 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester (CAS 153235-96-2) is a chemical compound with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 4-carbamimidoylcyclohexane-1-carboxylate
Also Known As: Achca-ophbu, 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester, trans-4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester, (4-tert-butylphenyl) 4-carbamimidoylcyclohexane-1-carboxylate, 4-(1,1-Dimethylethyl)phenyl 4-(aminoiminomethyl)cyclohexanecarboxylate trans-
| Molecular Formula | C18H26N2O2 |
|---|---|
| Molecular Weight | 302.20 g/mol |
| LogP | 3.63187 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.19943 |
| Heavy Atoms | 22 |
| Complexity | 535.20074 |
Chemical Identifiers
| CAS Number | 153235-96-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=N)N |
Product Overview
4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester (CAS 153235-96-2), with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol. IUPAC: (4-tert-butylphenyl) 4-carbamimidoylcyclohexane-1-carboxylate.
Chemical Property Profile of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester
Property Insights of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester
The XLogP value of 3.63187 indicates that 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester. Following Lipinski's Rule of Five, 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester 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-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester?
The CAS number of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester is 153235-96-2.
What is the molecular formula of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester?
The molecular formula of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester is C18H26N2O2.
What is the molecular weight of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester?
The molecular weight of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester is 302.20 g/mol.
Where can I buy 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester?
You can request a quote for 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.