N-Desmethyltrimebutine
TL;DR: N-Desmethyltrimebutine (CAS 90097-52-2) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Also Known As: N-Desmethyl-tmb, N-Desmethyltrimebutine, NDTMB, N-Demethyltrimebutine, Trimebutine EP Impurity E
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 90097-52-2 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)NC |
| InChIKey | ZFPDLGDYDUPYEZ-UHFFFAOYSA-N |
Product Overview
N-Desmethyltrimebutine (CAS 90097-52-2), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: [2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of N-Desmethyltrimebutine
Property Insights of N-Desmethyltrimebutine
The XLogP value of 3.5 indicates that N-Desmethyltrimebutine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyltrimebutine. Following Lipinski's Rule of Five, N-Desmethyltrimebutine has 1 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 N-Desmethyltrimebutine?
The CAS number of N-Desmethyltrimebutine is 90097-52-2.
What is the molecular formula of N-Desmethyltrimebutine?
The molecular formula of N-Desmethyltrimebutine is C21H27NO5.
What is the molecular weight of N-Desmethyltrimebutine?
The molecular weight of N-Desmethyltrimebutine is 373.19 g/mol.
Where can I buy N-Desmethyltrimebutine?
You can request a quote for N-Desmethyltrimebutine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyltrimebutine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyltrimebutine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.