Nesacaine
TL;DR: Nesacaine (CAS 3858-89-7) is a chemical compound with molecular formula C13H20Cl2N2O2 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-2-chlorobenzoyl)oxyethyl-diethylazanium chloride
Also Known As: Nesacaine, Nesacaine-Mpf, Nesecaine-CE, Chloroprocaine Hcl, Chloroprocaine hydrochloride
| Molecular Formula | C13H20Cl2N2O2 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | -1.99 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.09018 |
| Heavy Atoms | 19 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 3858-89-7 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.[Cl-] |
| InChIKey | SZKQYDBPUCZLRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nesacaine (CAS 3858-89-7), with molecular formula C13H20Cl2N2O2 and molecular weight 306.09 g/mol. IUPAC: 2-(4-amino-2-chlorobenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of Nesacaine
Property Insights of Nesacaine
The XLogP value of -1.99 indicates that Nesacaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, Nesacaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nesacaine has 2 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 Nesacaine?
The CAS number of Nesacaine is 3858-89-7.
What is the molecular formula of Nesacaine?
The molecular formula of Nesacaine is C13H20Cl2N2O2.
What is the molecular weight of Nesacaine?
The molecular weight of Nesacaine is 306.09 g/mol.
Where can I buy Nesacaine?
You can request a quote for Nesacaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nesacaine?
Yes, KEHONG BIO provides custom synthesis services for Nesacaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.