Cetraxate benzyl ester
TL;DR: Cetraxate benzyl ester (CAS 27725-13-9) is a chemical compound with molecular formula C24H30ClNO4 and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
Also Known As: Cetraxate benzyl ester, Benzenepropanoic acid, 4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)-, phenylmethyl ester, hydrochloride, trans-, [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride, [4-(2-phenylmethoxycarbonylethyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Hydrochloride, [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride
| Molecular Formula | C24H30ClNO4 |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 4.4549 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.18634 |
| Heavy Atoms | 30 |
| Complexity | 786.61304 |
Chemical Identifiers
| CAS Number | 27725-13-9 |
|---|---|
| SMILES | C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3.Cl |
Product Overview
Cetraxate benzyl ester (CAS 27725-13-9), with molecular formula C24H30ClNO4 and molecular weight 431.19 g/mol. IUPAC: [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Cetraxate benzyl ester
Property Insights of Cetraxate benzyl ester
The XLogP value of 4.4549 indicates that Cetraxate benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Cetraxate benzyl ester. Following Lipinski's Rule of Five, Cetraxate benzyl ester has 1 hydrogen bond donor(s) and 5 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 Cetraxate benzyl ester?
The CAS number of Cetraxate benzyl ester is 27725-13-9.
What is the molecular formula of Cetraxate benzyl ester?
The molecular formula of Cetraxate benzyl ester is C24H30ClNO4.
What is the molecular weight of Cetraxate benzyl ester?
The molecular weight of Cetraxate benzyl ester is 431.19 g/mol.
Where can I buy Cetraxate benzyl ester?
You can request a quote for Cetraxate benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetraxate benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cetraxate benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.