鹽酸洛非西定
TL;DR: 鹽酸洛非西定 (CAS 31036-80-3) is a chemical compound with molecular formula C11H12Cl2N2O and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鹽酸洛非西定
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
Also Known As: Lofexidine, Lofexidina, Lofexidinum, Britlofex, lofexadine
| Molecular Formula | C11H12Cl2N2O |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.03265 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
| Melting Point | 221-223 |
| Boiling Point | 421.5 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 31036-80-3 |
|---|---|
| SMILES | CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl |
| InChIKey | KSMAGQUYOIHWFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
鹽酸洛非西定 (CAS 31036-80-3), with molecular formula C11H12Cl2N2O and molecular weight 258.03 g/mol. IUPAC: 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 鹽酸洛非西定
Property Insights of 鹽酸洛非西定
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 鹽酸洛非西定. With a topological polar surface area (TPSA) of 33.6 Ų, 鹽酸洛非西定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 鹽酸洛非西定 has 1 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 鹽酸洛非西定?
The CAS number of 鹽酸洛非西定 is 31036-80-3.
What is the molecular formula of 鹽酸洛非西定?
The molecular formula of 鹽酸洛非西定 is C11H12Cl2N2O.
What is the molecular weight of 鹽酸洛非西定?
The molecular weight of 鹽酸洛非西定 is 258.03 g/mol.
Where can I buy 鹽酸洛非西定?
You can request a quote for 鹽酸洛非西定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鹽酸洛非西定?
Yes, KEHONG BIO provides custom synthesis services for 鹽酸洛非西定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.