Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride
TL;DR: Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride (CAS 4838-53-3) is a chemical compound with molecular formula C13H21ClN6O and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[N'-[4-(butylcarbamoyl)phenyl]carbamimidoyl]-carbamimidoylazanium chloride
Also Known As: p-(3-Amidinoguanidino)-N-butylbenzamide monohydrochloride, BENZAMIDE, p-(3-AMIDINOGUANIDINO)-N-BUTYL-, MONOHYDROCHLORIDE, Biguanide, 1-(p-N-butylcarbamoylphenyl)-, hydrochloride, [N'-[4-(butylcarbamoyl)phenyl]carbamimidoyl]-carbamimidoylazanium chloride, (E)-Amino{[4-(butylcarbamoyl)phenyl]imino}-N-carbamimidoylmethanaminium chloride
| Molecular Formula | C13H21ClN6O |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | -3.38 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.14655 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 4838-53-3 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC=C(C=C1)N=C(N)[NH2+]C(=N)N.[Cl-] |
| InChIKey | NWDYTNNGNXESRH-UHFFFAOYSA-N |
Product Overview
Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride (CAS 4838-53-3), with molecular formula C13H21ClN6O and molecular weight 312.15 g/mol. IUPAC: [N'-[4-(butylcarbamoyl)phenyl]carbamimidoyl]-carbamimidoylazanium chloride.
Chemical Property Profile of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride
Property Insights of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride
The XLogP value of -3.38 indicates that Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride. Following Lipinski's Rule of Five, Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride has 5 hydrogen bond donor(s) and 4 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 Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride?
The CAS number of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride is 4838-53-3.
What is the molecular formula of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride?
The molecular formula of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride is C13H21ClN6O.
What is the molecular weight of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride?
The molecular weight of Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride is 312.15 g/mol.
Where can I buy Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride?
You can request a quote for Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, p-(3-amidinoguanidino)-N-butyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.