曲美布汀
TL;DR: 曲美布汀 (CAS 39133-31-8) is a chemical compound with molecular formula C22H29NO5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲美布汀
[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Also Known As: trimebutine, Trimebutina, Trimebutinum, Trimebutine base, Trimebutino
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 466.0 |
| Melting Point | 78-82 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 39133-31-8 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C |
| InChIKey | LORDFXWUHHSAQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲美布汀 (CAS 39133-31-8), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 曲美布汀
Property Insights of 曲美布汀
The XLogP value of 4.0 indicates that 曲美布汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 曲美布汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曲美布汀 has 0 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 曲美布汀?
The CAS number of 曲美布汀 is 39133-31-8.
What is the molecular formula of 曲美布汀?
The molecular formula of 曲美布汀 is C22H29NO5.
What is the molecular weight of 曲美布汀?
The molecular weight of 曲美布汀 is 387.20 g/mol.
Where can I buy 曲美布汀?
You can request a quote for 曲美布汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲美布汀?
Yes, KEHONG BIO provides custom synthesis services for 曲美布汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.