1-Hexylbiguanide hydrochloride
TL;DR: 1-Hexylbiguanide hydrochloride (CAS 4838-52-2) is a chemical compound with molecular formula C8H20ClN5 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-N'-carbamimidoylcarbamimidoyl]-hexylazanium chloride
Also Known As: 1-Hexylbiguanide hydrochloride, BIGUANIDE, 1-HEXYL-, MONOHYDROCHLORIDE, N-Hexylimidodicarbonimidic diamide monohydrochloride
| Molecular Formula | C8H20ClN5 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | -3.65773 |
| Topological Polar Surface Area | 104.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14072 |
| Heavy Atoms | 14 |
| Complexity | 180.57045 |
Chemical Identifiers
| CAS Number | 4838-52-2 |
|---|---|
| SMILES | CCCCCC[NH2+]/C(=N/C(=N)N)/N.[Cl-] |
Product Overview
1-Hexylbiguanide hydrochloride (CAS 4838-52-2), with molecular formula C8H20ClN5 and molecular weight 221.14 g/mol. IUPAC: [(E)-N'-carbamimidoylcarbamimidoyl]-hexylazanium chloride.
Chemical Property Profile of 1-Hexylbiguanide hydrochloride
Property Insights of 1-Hexylbiguanide hydrochloride
The XLogP value of -3.65773 indicates that 1-Hexylbiguanide hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexylbiguanide hydrochloride. Following Lipinski's Rule of Five, 1-Hexylbiguanide hydrochloride has 4 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 1-Hexylbiguanide hydrochloride?
The CAS number of 1-Hexylbiguanide hydrochloride is 4838-52-2.
What is the molecular formula of 1-Hexylbiguanide hydrochloride?
The molecular formula of 1-Hexylbiguanide hydrochloride is C8H20ClN5.
What is the molecular weight of 1-Hexylbiguanide hydrochloride?
The molecular weight of 1-Hexylbiguanide hydrochloride is 221.14 g/mol.
Where can I buy 1-Hexylbiguanide hydrochloride?
You can request a quote for 1-Hexylbiguanide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexylbiguanide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexylbiguanide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.