Cetraxate hydrochloride
TL;DR: Cetraxate hydrochloride (CAS 27724-96-5) is a chemical compound with molecular formula C17H24ClNO4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid;hydrochloride
Also Known As: cetraxate hydrochloride, Cetraxate, Hydrochloride, Neuer, CETRAXATE HCl, Cetraxate
| Molecular Formula | C17H24ClNO4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.13937 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 27724-96-5 |
|---|---|
| SMILES | C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O.Cl |
| InChIKey | USROQQUKEBHOFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetraxate hydrochloride (CAS 27724-96-5), with molecular formula C17H24ClNO4 and molecular weight 341.14 g/mol. IUPAC: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid;hydrochloride.
Chemical Property Profile of Cetraxate hydrochloride
Property Insights of Cetraxate hydrochloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetraxate hydrochloride. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cetraxate hydrochloride. Following Lipinski's Rule of Five, Cetraxate hydrochloride has 3 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 hydrochloride?
The CAS number of Cetraxate hydrochloride is 27724-96-5.
What is the molecular formula of Cetraxate hydrochloride?
The molecular formula of Cetraxate hydrochloride is C17H24ClNO4.
What is the molecular weight of Cetraxate hydrochloride?
The molecular weight of Cetraxate hydrochloride is 341.14 g/mol.
Where can I buy Cetraxate hydrochloride?
You can request a quote for Cetraxate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetraxate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cetraxate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.