Bumecaine hydrochloride
TL;DR: Bumecaine hydrochloride (CAS 21867-69-6) is a chemical compound with molecular formula C18H29ClN2O and molecular weight 324.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
Also Known As: Bumecaine hydrochloride, Pyrromecaine, Pyrromecaine HCl, Pyromecaine, Bumecain
| Molecular Formula | C18H29ClN2O |
|---|---|
| Molecular Weight | 324.20 g/mol |
| LogP | 4.23666 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.19684 |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 21867-69-6 |
|---|---|
| SMILES | CCCCN1CCCC1C(=O)NC2=C(C=C(C=C2C)C)C.Cl |
| InChIKey | NFEZGTHMTGKIBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bumecaine hydrochloride (CAS 21867-69-6), with molecular formula C18H29ClN2O and molecular weight 324.20 g/mol. IUPAC: 1-butyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
Chemical Property Profile of Bumecaine hydrochloride
Property Insights of Bumecaine hydrochloride
The XLogP value of 4.23666 indicates that Bumecaine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Bumecaine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bumecaine hydrochloride has 2 hydrogen bond donor(s) and 2 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 Bumecaine hydrochloride?
The CAS number of Bumecaine hydrochloride is 21867-69-6.
What is the molecular formula of Bumecaine hydrochloride?
The molecular formula of Bumecaine hydrochloride is C18H29ClN2O.
What is the molecular weight of Bumecaine hydrochloride?
The molecular weight of Bumecaine hydrochloride is 324.20 g/mol.
Where can I buy Bumecaine hydrochloride?
You can request a quote for Bumecaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bumecaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bumecaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.