Desbenzylclebopride
TL;DR: Desbenzylclebopride (CAS 57645-49-5) is a chemical compound with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide
Also Known As: Desbenzylclebopride, Desbenzyl clebopride, 4-AMINO-5-CHLORO-2-METHOXY-N-PIPERIDIN-4-YL-BENZAMIDE, 4-amino-5-chloro-2-methoxy-N-(piperidin-4-yl)benzamide, 4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide
| Molecular Formula | C13H18ClN3O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.10876 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 57645-49-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CCNCC2)Cl)N |
| InChIKey | RUQHFNWNPDBISK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desbenzylclebopride (CAS 57645-49-5), with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol. IUPAC: 4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide.
Chemical Property Profile of Desbenzylclebopride
Property Insights of Desbenzylclebopride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desbenzylclebopride. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Desbenzylclebopride. Following Lipinski's Rule of Five, Desbenzylclebopride has 3 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 Desbenzylclebopride?
The CAS number of Desbenzylclebopride is 57645-49-5.
What is the molecular formula of Desbenzylclebopride?
The molecular formula of Desbenzylclebopride is C13H18ClN3O2.
What is the molecular weight of Desbenzylclebopride?
The molecular weight of Desbenzylclebopride is 283.11 g/mol.
Where can I buy Desbenzylclebopride?
You can request a quote for Desbenzylclebopride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desbenzylclebopride?
Yes, KEHONG BIO provides custom synthesis services for Desbenzylclebopride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.