氯己定
TL;DR: 氯己定 (CAS 55-56-1) is a chemical compound with molecular formula C22H30Cl2N10 and molecular weight 504.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯己定
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Also Known As: chlorhexidine, Chlorohexidine, Nolvasan, Chlorhexidine Base, Chlorhexidine CRS
| Molecular Formula | C22H30Cl2N10 |
|---|---|
| Molecular Weight | 504.20 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 504.2032 |
| Heavy Atoms | 34 |
| Complexity | 648.0 |
| Melting Point | 134 °C |
| Solubility | 2.61e-02 g/L |
Chemical Identifiers
| CAS Number | 55-56-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
| InChIKey | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯己定 (CAS 55-56-1), with molecular formula C22H30Cl2N10 and molecular weight 504.20 g/mol. IUPAC: 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine.
Chemical Property Profile of 氯己定
Property Insights of 氯己定
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯己定. The TPSA of 178.0 Ų indicates high polarity, suggesting 氯己定 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯己定 has 6 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯己定?
The CAS number of 氯己定 is 55-56-1.
What is the molecular formula of 氯己定?
The molecular formula of 氯己定 is C22H30Cl2N10.
What is the molecular weight of 氯己定?
The molecular weight of 氯己定 is 504.20 g/mol.
Where can I buy 氯己定?
You can request a quote for 氯己定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯己定?
Yes, KEHONG BIO provides custom synthesis services for 氯己定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.