Benzyl cetraxate
TL;DR: Benzyl cetraxate (CAS 83544-74-5) is a chemical compound with molecular formula C24H29NO4 and molecular weight 395.21 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
Also Known As: benzyl cetraxate, Cetraxate benzyl ester, [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate, 4-(3-benzyloxy-3-oxopropyl)phenyl (1r,4r)-4-(aminomethyl)cyclohexanecarboxylate, 4-[3-(benzyloxy)-3-oxopropyl]phenyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
| Molecular Formula | C24H29NO4 |
|---|---|
| Molecular Weight | 395.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 395.20966 |
| Heavy Atoms | 29 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 83544-74-5 |
|---|---|
| SMILES | C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3 |
| InChIKey | LPWHBGUXJFSETQ-UHFFFAOYSA-N |
Product Overview
Benzyl cetraxate (CAS 83544-74-5), with molecular formula C24H29NO4 and molecular weight 395.21 g/mol. IUPAC: [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate.
Chemical Property Profile of Benzyl cetraxate
Property Insights of Benzyl cetraxate
The XLogP value of 3.7 indicates that Benzyl cetraxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl cetraxate. Following Lipinski's Rule of Five, Benzyl cetraxate 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 Benzyl cetraxate?
The CAS number of Benzyl cetraxate is 83544-74-5.
What is the molecular formula of Benzyl cetraxate?
The molecular formula of Benzyl cetraxate is C24H29NO4.
What is the molecular weight of Benzyl cetraxate?
The molecular weight of Benzyl cetraxate is 395.21 g/mol.
Where can I buy Benzyl cetraxate?
You can request a quote for Benzyl cetraxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl cetraxate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl cetraxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.