Homocaldopentamine
TL;DR: Homocaldopentamine (CAS 84807-90-9) is a chemical compound with molecular formula C13H33N5 and molecular weight 259.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
Also Known As: Homocaldopentamine, 1,6-Diamino-4,8,12-triazahexadecane, 1,16-diamino-4,8,12-triazahexadecane, N'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine, 1,4-Butanediamine, N-(3-((3-((3-aminopropyl)amino)propyl)amino)propyl)-
| Molecular Formula | C13H33N5 |
|---|---|
| Molecular Weight | 259.27 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 259.2736 |
| Heavy Atoms | 18 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 84807-90-9 |
|---|---|
| SMILES | C(CCNCCCNCCCNCCCN)CN |
| InChIKey | FPTWYQKWFMIJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Homocaldopentamine (CAS 84807-90-9), with molecular formula C13H33N5 and molecular weight 259.27 g/mol. IUPAC: N'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine.
Chemical Property Profile of Homocaldopentamine
Property Insights of Homocaldopentamine
The XLogP value of -1.2 indicates that Homocaldopentamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Homocaldopentamine. Following Lipinski's Rule of Five, Homocaldopentamine has 5 hydrogen bond donor(s) and 5 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 Homocaldopentamine?
The CAS number of Homocaldopentamine is 84807-90-9.
What is the molecular formula of Homocaldopentamine?
The molecular formula of Homocaldopentamine is C13H33N5.
What is the molecular weight of Homocaldopentamine?
The molecular weight of Homocaldopentamine is 259.27 g/mol.
Where can I buy Homocaldopentamine?
You can request a quote for Homocaldopentamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homocaldopentamine?
Yes, KEHONG BIO provides custom synthesis services for Homocaldopentamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.