N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine
TL;DR: N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine (CAS 81537-76-0) is a chemical compound with molecular formula C13H15Cl2N and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine
Also Known As: N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine, 2-Propyn-1-amine, N,N-bis(2-chloroethyl)-3-phenyl-
| Molecular Formula | C13H15Cl2N |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.05815 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 81537-76-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCN(CCCl)CCCl |
| InChIKey | QUGWASWUOZCHLP-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine (CAS 81537-76-0), with molecular formula C13H15Cl2N and molecular weight 255.06 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine.
Chemical Property Profile of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine
Property Insights of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine
The XLogP value of 3.3 indicates that N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine has 0 hydrogen bond donor(s) and 1 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 N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine?
The CAS number of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine is 81537-76-0.
What is the molecular formula of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine?
The molecular formula of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine is C13H15Cl2N.
What is the molecular weight of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine?
The molecular weight of N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine is 255.06 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine?
You can request a quote for N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.