盐酸美布氨酯
TL;DR: 盐酸美布氨酯 (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.
盐酸美布氨酯
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
盐酸美布氨酯 (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 盐酸美布氨酯
Property Insights of 盐酸美布氨酯
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 盐酸美布氨酯. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 盐酸美布氨酯. Following Lipinski's Rule of Five, 盐酸美布氨酯 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 盐酸美布氨酯?
The CAS number of 盐酸美布氨酯 is 553-58-2.
What is the molecular formula of 盐酸美布氨酯?
The molecular formula of 盐酸美布氨酯 is C13H21ClN2O2.
What is the molecular weight of 盐酸美布氨酯?
The molecular weight of 盐酸美布氨酯 is 272.13 g/mol.
Where can I buy 盐酸美布氨酯?
You can request a quote for 盐酸美布氨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸美布氨酯?
Yes, KEHONG BIO provides custom synthesis services for 盐酸美布氨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.