Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
TL;DR: Hexamethylenetetraminium, 1-(2-thenyl)-, chloride (CAS 6296-08-8) is a chemical compound with molecular formula C11H17ClN4S and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thiophen-2-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Also Known As: 1-(2-Thenyl)hexamethylenetetrammonium chloride, Hexamethylenetetramine, 2-(chloromethyl)-, 3,5,7-Triaza-1-azoniaadamantane, 1-(2-thienyl)-, chloride, HEXAMETHYLENETETRAMINIUM, 1-(2-THENYL)-, CHLORIDE, Hexamethylenetetramine, compd. with thiophene, 2-(chloromethyl)-
| Molecular Formula | C11H17ClN4S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | -2.24 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.08624 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6296-08-8 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CS4.[Cl-] |
| InChIKey | JTQYWCBXUPIISX-UHFFFAOYSA-M |
Product Overview
Hexamethylenetetraminium, 1-(2-thenyl)-, chloride (CAS 6296-08-8), with molecular formula C11H17ClN4S and molecular weight 272.09 g/mol. IUPAC: 1-(thiophen-2-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride.
Chemical Property Profile of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
Property Insights of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride
The XLogP value of -2.24 indicates that Hexamethylenetetraminium, 1-(2-thenyl)-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, Hexamethylenetetraminium, 1-(2-thenyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylenetetraminium, 1-(2-thenyl)-, chloride has 0 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 Hexamethylenetetraminium, 1-(2-thenyl)-, chloride?
The CAS number of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride is 6296-08-8.
What is the molecular formula of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride?
The molecular formula of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride is C11H17ClN4S.
What is the molecular weight of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride?
The molecular weight of Hexamethylenetetraminium, 1-(2-thenyl)-, chloride is 272.09 g/mol.
Where can I buy Hexamethylenetetraminium, 1-(2-thenyl)-, chloride?
You can request a quote for Hexamethylenetetraminium, 1-(2-thenyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylenetetraminium, 1-(2-thenyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylenetetraminium, 1-(2-thenyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.