2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine
TL;DR: 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine (CAS 60221-94-5) is a chemical compound with molecular formula C12H18ClN5 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[amino-(4-chloroanilino)methylidene]-2-butylguanidine
Also Known As: 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine, 1-[amino-(4-chloroanilino)methylidene]-2-butylguanidine, (1E)-1-[amino-(4-chloroanilino)methylidene]-2-butylguanidine
| Molecular Formula | C12H18ClN5 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.12506 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 60221-94-5 |
|---|---|
| SMILES | CCCCN=C(N)N=C(N)NC1=CC=C(C=C1)Cl |
| InChIKey | HTWIWHOGBIYXJD-UHFFFAOYSA-N |
Product Overview
2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine (CAS 60221-94-5), with molecular formula C12H18ClN5 and molecular weight 267.13 g/mol. IUPAC: 1-[amino-(4-chloroanilino)methylidene]-2-butylguanidine.
Chemical Property Profile of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine
Property Insights of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine
The XLogP value of -0.6 indicates that 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine. Following Lipinski's Rule of Five, 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine has 3 hydrogen bond donor(s) and 1 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 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine?
The CAS number of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine is 60221-94-5.
What is the molecular formula of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine?
The molecular formula of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine is C12H18ClN5.
What is the molecular weight of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine?
The molecular weight of 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine is 267.13 g/mol.
Where can I buy 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine?
You can request a quote for 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-butylcarbamimidoyl)-1-(4-chlorophenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.