RefChem:329455
TL;DR: RefChem:329455 (CAS 19803-78-2) is a chemical compound with molecular formula C22H31Cl4N11 and molecular weight 589.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboximidamide;dihydrochloride
Also Known As: Biguanide, 1-(p-chlorophenyl)-5-(2-(4-(((p-chlorophenyl)amidino)amidino)-1-piperazinyl)ethyl)-, dihydrochloride, hydrate, BIGUANIDE, 1-(p-CHLOROPHENYL)-5-(2-(4-(((p-CHLOROPHENYL)AMIDINO)AMIDINO)-1-PIPER, 4-{2-[(E)-(Amino{(E)-[amino(4-chloroanilino)methylidene]amino}methylidene)amino]ethyl}-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboximidamide--hydrogen chloride (1/2), RefChem:329455
| Molecular Formula | C22H31Cl4N11 |
|---|---|
| Molecular Weight | 589.15 g/mol |
| LogP | 2.457 |
| Topological Polar Surface Area | 172.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 589.1518 |
| Heavy Atoms | 37 |
| Complexity | 1094.6149 |
Chemical Identifiers
| CAS Number | 19803-78-2 |
|---|---|
| SMILES | C1CN(CCN1CCN=C(N)/N=C(\N)/NC2=CC=C(C=C2)Cl)/C(=N/C(=NC3=CC=C(C=C3)Cl)N)/N.Cl.Cl |
Product Overview
RefChem:329455 (CAS 19803-78-2), with molecular formula C22H31Cl4N11 and molecular weight 589.15 g/mol. IUPAC: 4-[2-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboximidamide;dihydrochloride.
Chemical Property Profile of RefChem:329455
Property Insights of RefChem:329455
The XLogP value of 2.457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329455. The TPSA of 172.03 Ų indicates high polarity, suggesting RefChem:329455 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:329455 has 5 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:329455?
The CAS number of RefChem:329455 is 19803-78-2.
What is the molecular formula of RefChem:329455?
The molecular formula of RefChem:329455 is C22H31Cl4N11.
What is the molecular weight of RefChem:329455?
The molecular weight of RefChem:329455 is 589.15 g/mol.
Where can I buy RefChem:329455?
You can request a quote for RefChem:329455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329455?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.