Metabutethamine Hydrochloride
TL;DR: Metabutethamine Hydrochloride (CAS 553-58-2) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylamino)ethyl 3-aminobenzoate;hydrochloride
Also Known As: Unacaine, Metabutethamine hydrochloride, Metabutethamine HCl, Unacaine hydrochloride, metabuthamine
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 553-58-2 |
|---|---|
| SMILES | CC(C)CNCCOC(=O)C1=CC(=CC=C1)N.Cl |
| InChIKey | HKUYLJOKQXCBDY-UHFFFAOYSA-N |
Product Overview
Metabutethamine Hydrochloride (CAS 553-58-2), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: 2-(2-methylpropylamino)ethyl 3-aminobenzoate;hydrochloride.
Chemical Property Profile of Metabutethamine Hydrochloride
Property Insights of Metabutethamine Hydrochloride
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metabutethamine Hydrochloride. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Metabutethamine Hydrochloride. Following Lipinski's Rule of Five, Metabutethamine Hydrochloride 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 Metabutethamine Hydrochloride?
The CAS number of Metabutethamine Hydrochloride is 553-58-2.
What is the molecular formula of Metabutethamine Hydrochloride?
The molecular formula of Metabutethamine Hydrochloride is C13H21ClN2O2.
What is the molecular weight of Metabutethamine Hydrochloride?
The molecular weight of Metabutethamine Hydrochloride is 272.13 g/mol.
Where can I buy Metabutethamine Hydrochloride?
You can request a quote for Metabutethamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metabutethamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Metabutethamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.