阿可乐定
TL;DR: 阿可乐定 (CAS 66711-21-5) is a chemical compound with molecular formula C9H10Cl2N4 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿可乐定
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
Also Known As: apraclonidine, Aplonidine, Apraclonidina, Iopidine, 4-Aminoclonidine
| Molecular Formula | C9H10Cl2N4 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.02826 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| Solubility | 4.09e-01 g/L |
Chemical Identifiers
| CAS Number | 66711-21-5 |
|---|---|
| SMILES | C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl |
| InChIKey | IEJXVRYNEISIKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿可乐定 (CAS 66711-21-5), with molecular formula C9H10Cl2N4 and molecular weight 244.03 g/mol. IUPAC: 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.
Chemical Property Profile of 阿可乐定
Property Insights of 阿可乐定
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿可乐定. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿可乐定. Following Lipinski's Rule of Five, 阿可乐定 has 3 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 阿可乐定?
The CAS number of 阿可乐定 is 66711-21-5.
What is the molecular formula of 阿可乐定?
The molecular formula of 阿可乐定 is C9H10Cl2N4.
What is the molecular weight of 阿可乐定?
The molecular weight of 阿可乐定 is 244.03 g/mol.
Where can I buy 阿可乐定?
You can request a quote for 阿可乐定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿可乐定?
Yes, KEHONG BIO provides custom synthesis services for 阿可乐定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.