辛可卡因
TL;DR: 辛可卡因 (CAS 85-79-0) is a chemical compound with molecular formula C20H29N3O2 and molecular weight 343.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛可卡因
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
Also Known As: dibucaine, Cinchocaine, Nupercainal, Nupercaine, Dermacaine
| Molecular Formula | C20H29N3O2 |
|---|---|
| Molecular Weight | 343.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.22598 |
| Heavy Atoms | 25 |
| Complexity | 387.0 |
| Melting Point | 99-101 °C (HCl salt) |
| Solubility | 42 |
Chemical Identifiers
| CAS Number | 85-79-0 |
|---|---|
| SMILES | CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC |
| InChIKey | PUFQVTATUTYEAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛可卡因 (CAS 85-79-0), with molecular formula C20H29N3O2 and molecular weight 343.23 g/mol. IUPAC: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.
Chemical Property Profile of 辛可卡因
Property Insights of 辛可卡因
The XLogP value of 4.4 indicates that 辛可卡因 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 辛可卡因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛可卡因 has 1 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 辛可卡因?
The CAS number of 辛可卡因 is 85-79-0.
What is the molecular formula of 辛可卡因?
The molecular formula of 辛可卡因 is C20H29N3O2.
What is the molecular weight of 辛可卡因?
The molecular weight of 辛可卡因 is 343.23 g/mol.
Where can I buy 辛可卡因?
You can request a quote for 辛可卡因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛可卡因?
Yes, KEHONG BIO provides custom synthesis services for 辛可卡因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.