Metoclopramide sulfone
TL;DR: Metoclopramide sulfone (CAS 139339-72-3) is a chemical compound with molecular formula C16H26ClN3O4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methylsulfonylethoxy)benzamide
Also Known As: Metoclopramide sulfone, 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-(2-(methylsulfonyl)ethoxy)benzamide, 4-Amino-3-chloro-N-(2-diethylaminoethyl)-6-[[2-(methylsulfonyl)ethyl]oxy]benzamide, 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-methylsulfonylethoxy)benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methanesulfonylethoxy)benzamide
| Molecular Formula | C16H26ClN3O4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.13327 |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 139339-72-3 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCS(=O)(=O)C)N)Cl |
| InChIKey | OSNGEOZMYLGFHX-UHFFFAOYSA-N |
Product Overview
Metoclopramide sulfone (CAS 139339-72-3), with molecular formula C16H26ClN3O4S and molecular weight 391.13 g/mol. IUPAC: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methylsulfonylethoxy)benzamide.
Chemical Property Profile of Metoclopramide sulfone
Property Insights of Metoclopramide sulfone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metoclopramide sulfone. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Metoclopramide sulfone. Following Lipinski's Rule of Five, Metoclopramide sulfone has 2 hydrogen bond donor(s) and 6 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 Metoclopramide sulfone?
The CAS number of Metoclopramide sulfone is 139339-72-3.
What is the molecular formula of Metoclopramide sulfone?
The molecular formula of Metoclopramide sulfone is C16H26ClN3O4S.
What is the molecular weight of Metoclopramide sulfone?
The molecular weight of Metoclopramide sulfone is 391.13 g/mol.
Where can I buy Metoclopramide sulfone?
You can request a quote for Metoclopramide sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metoclopramide sulfone?
Yes, KEHONG BIO provides custom synthesis services for Metoclopramide sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.