Benzofurocaine
TL;DR: Benzofurocaine (CAS 90326-82-2) is a chemical compound with molecular formula C19H24ClNO10 and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxybutanedioic acid;ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: Benzofurocaine, 2,3-dihydroxybutanedioic acid;ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, ethyl 4-chloro-6-((dimethylamino)methyl)-5-hydroxy-2-methylbenzofuran-3-carboxylate 2,3-dihydroxysuccinate, ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, 2,3-dihydroxybutanedioic acid,ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C19H24ClNO10 |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 1.21592 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.1089 |
| Heavy Atoms | 31 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 90326-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | RKXLAVAJHYGCIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzofurocaine (CAS 90326-82-2), with molecular formula C19H24ClNO10 and molecular weight 461.11 g/mol. IUPAC: 2,3-dihydroxybutanedioic acid;ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Benzofurocaine
Property Insights of Benzofurocaine
The XLogP value of 1.21592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurocaine. The TPSA of 178.0 Ų indicates high polarity, suggesting Benzofurocaine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzofurocaine has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzofurocaine?
The CAS number of Benzofurocaine is 90326-82-2.
What is the molecular formula of Benzofurocaine?
The molecular formula of Benzofurocaine is C19H24ClNO10.
What is the molecular weight of Benzofurocaine?
The molecular weight of Benzofurocaine is 461.11 g/mol.
Where can I buy Benzofurocaine?
You can request a quote for Benzofurocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurocaine?
Yes, KEHONG BIO provides custom synthesis services for Benzofurocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.