Butetamatcitrat
TL;DR: Butetamatcitrat (CAS 15533-77-4) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium chloride
Also Known As: Butetamatcitrat, BUTETAMATE HYDROCHLORIDE, 2-(Diethylamino)ethyl 2-phenylbutyrate hydrochloride, diethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium;chloride, Ethanol, 2-(diethylamino)-, 2-phenylbutyrate, hydrochloride
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | -1.35 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 15533-77-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | SRIJBBUJJSYXHB-UHFFFAOYSA-N |
Product Overview
Butetamatcitrat (CAS 15533-77-4), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: diethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium chloride.
Chemical Property Profile of Butetamatcitrat
Property Insights of Butetamatcitrat
The XLogP value of -1.35 indicates that Butetamatcitrat is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Butetamatcitrat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butetamatcitrat has 1 hydrogen bond donor(s) and 3 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 Butetamatcitrat?
The CAS number of Butetamatcitrat is 15533-77-4.
What is the molecular formula of Butetamatcitrat?
The molecular formula of Butetamatcitrat is C16H26ClNO2.
What is the molecular weight of Butetamatcitrat?
The molecular weight of Butetamatcitrat is 299.17 g/mol.
Where can I buy Butetamatcitrat?
You can request a quote for Butetamatcitrat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butetamatcitrat?
Yes, KEHONG BIO provides custom synthesis services for Butetamatcitrat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.