1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate
TL;DR: 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate (CAS 100196-37-0) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-N,N-dimethyl-N'-phenylpropane-1,3-diamine;(E)-but-2-enedioic acid
Also Known As: N-Benzyl-N',N'-dimethyl-N-phenyl-1,3-propanediamine fumarate, 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate, 1,3-Propanediamine,N-benzyl-N',N'-dimethyl-N-phenyl-,fumarate, N'-benzyl-N,N-dimethyl-N'-phenylpropane-1,3-diamine,(E)-but-2-enedioic acid, N'-benzyl-N,N-dimethyl-N'-phenylpropane-1,3-diamine; (E)-but-2-enedioic acid
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.3567 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 714.7167 |
Chemical Identifiers
| CAS Number | 100196-37-0 |
|---|---|
| SMILES | CN(C)CCCN(CC1=CC=CC=C1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate (CAS 100196-37-0), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: N'-benzyl-N,N-dimethyl-N'-phenylpropane-1,3-diamine;(E)-but-2-enedioic acid.
Chemical Property Profile of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate
Property Insights of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate
The XLogP value of 3.3567 indicates that 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate. Following Lipinski's Rule of Five, 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate has 2 hydrogen bond donor(s) and 4 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 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate?
The CAS number of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate is 100196-37-0.
What is the molecular formula of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate?
The molecular formula of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate is C22H28N2O4.
What is the molecular weight of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate?
The molecular weight of 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate is 384.20 g/mol.
Where can I buy 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate?
You can request a quote for 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N-benzyl-N',N'-dimethyl-N-phenyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.