o-Desmethyl metoclopramide
TL;DR: o-Desmethyl metoclopramide (CAS 38339-95-6) is a chemical compound with molecular formula C13H20ClN3O2 and molecular weight 285.12 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-hydroxybenzamide
Also Known As: o-Desmethyl metoclopramide, Metoclopramide Impurity F, Metoclopramide EP Impurity F, O-desmethyl-metoclopramide, MetocloprFmide EP Impurity F
| Molecular Formula | C13H20ClN3O2 |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 1.6994 |
| Topological Polar Surface Area | 78.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1244 |
| Heavy Atoms | 19 |
| Complexity | 447.7596 |
Chemical Identifiers
| CAS Number | 38339-95-6 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=CC(=C(C=C1O)N)Cl |
Product Overview
o-Desmethyl metoclopramide (CAS 38339-95-6), with molecular formula C13H20ClN3O2 and molecular weight 285.12 g/mol. IUPAC: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide.
Chemical Property Profile of o-Desmethyl metoclopramide
Property Insights of o-Desmethyl metoclopramide
The XLogP value of 1.6994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Desmethyl metoclopramide. The TPSA of 78.59 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Desmethyl metoclopramide. Following Lipinski's Rule of Five, o-Desmethyl metoclopramide 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 o-Desmethyl metoclopramide?
The CAS number of o-Desmethyl metoclopramide is 38339-95-6.
What is the molecular formula of o-Desmethyl metoclopramide?
The molecular formula of o-Desmethyl metoclopramide is C13H20ClN3O2.
What is the molecular weight of o-Desmethyl metoclopramide?
The molecular weight of o-Desmethyl metoclopramide is 285.12 g/mol.
Where can I buy o-Desmethyl metoclopramide?
You can request a quote for o-Desmethyl metoclopramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Desmethyl metoclopramide?
Yes, KEHONG BIO provides custom synthesis services for o-Desmethyl metoclopramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.