Propoctamine
TL;DR: Propoctamine (CAS 3687-16-9) is a chemical compound with molecular formula C20H45N3 and molecular weight 327.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine
Also Known As: Propoctamine, Hexetidine EP Impurity B, N1,N3-Bis(2-ethylhexyl)-2-methyl-1,2,3-propanetriamine, 1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine, HEXETIDINE IMPURITY B [EP IMPURITY]
| Molecular Formula | C20H45N3 |
|---|---|
| Molecular Weight | 327.36 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 327.36136 |
| Heavy Atoms | 23 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 3687-16-9 |
|---|---|
| SMILES | CCCCC(CC)CNCC(C)(CNCC(CC)CCCC)N |
| InChIKey | STNVDPRWLDHKCY-UHFFFAOYSA-N |
Product Overview
Propoctamine (CAS 3687-16-9), with molecular formula C20H45N3 and molecular weight 327.36 g/mol. IUPAC: 1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine.
Chemical Property Profile of Propoctamine
Property Insights of Propoctamine
The XLogP value of 4.9 indicates that Propoctamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Propoctamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propoctamine has 3 hydrogen bond donor(s) and 3 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 Propoctamine?
The CAS number of Propoctamine is 3687-16-9.
What is the molecular formula of Propoctamine?
The molecular formula of Propoctamine is C20H45N3.
What is the molecular weight of Propoctamine?
The molecular weight of Propoctamine is 327.36 g/mol.
Where can I buy Propoctamine?
You can request a quote for Propoctamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propoctamine?
Yes, KEHONG BIO provides custom synthesis services for Propoctamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.