Homopentamethylenetetramine
TL;DR: Homopentamethylenetetramine (CAS 5422-71-9) is a chemical compound with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9λ6-thia-1,3,6,7-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide
Also Known As: Homopentamethylenetetramine, 4-27-00-09580 (Beilstein Handbook Reference), 9-thia-1,3,6,7-tetraazatricyclo[4.3.1.13,8]undecane 9,9-dioxide, 9-Thia-1,3,6,8-tetrazatricyclo(4.3.1.1(sup 3,8))undecane, 9,9-dioxide, 9-thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
| Molecular Formula | C6H12N4O2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.0681 |
| Heavy Atoms | 13 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5422-71-9 |
|---|---|
| SMILES | C1CN2CN3CN1CC(N2)S3(=O)=O |
| InChIKey | HTDZLTBICKNWLG-UHFFFAOYSA-N |
Product Overview
Homopentamethylenetetramine (CAS 5422-71-9), with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol. IUPAC: 9λ6-thia-1,3,6,7-tetrazatricyclo[4.3.1.13,8]undecane 9,9-dioxide.
Chemical Property Profile of Homopentamethylenetetramine
Property Insights of Homopentamethylenetetramine
The XLogP value of -1.0 indicates that Homopentamethylenetetramine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Homopentamethylenetetramine. Following Lipinski's Rule of Five, Homopentamethylenetetramine has 1 hydrogen bond donor(s) and 6 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 Homopentamethylenetetramine?
The CAS number of Homopentamethylenetetramine is 5422-71-9.
What is the molecular formula of Homopentamethylenetetramine?
The molecular formula of Homopentamethylenetetramine is C6H12N4O2S.
What is the molecular weight of Homopentamethylenetetramine?
The molecular weight of Homopentamethylenetetramine is 204.07 g/mol.
Where can I buy Homopentamethylenetetramine?
You can request a quote for Homopentamethylenetetramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homopentamethylenetetramine?
Yes, KEHONG BIO provides custom synthesis services for Homopentamethylenetetramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.