n,n-Bis(2-chloroethyl)-2-phenoxyaniline
TL;DR: n,n-Bis(2-chloroethyl)-2-phenoxyaniline (CAS 3273-78-7) is a chemical compound with molecular formula C16H17Cl2NO and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-phenoxyaniline
Also Known As: n,n-bis(2-chloroethyl)-2-phenoxyaniline, BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2-PHENOXY-, 1-[3-(dimethylamino)propyl]-3,3-dimethyl-N-phenyl-2-benzofur
| Molecular Formula | C16H17Cl2NO |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.06873 |
| Heavy Atoms | 20 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 3273-78-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2N(CCCl)CCCl |
| InChIKey | QVTHUHDLSZTKLX-UHFFFAOYSA-N |
Product Overview
n,n-Bis(2-chloroethyl)-2-phenoxyaniline (CAS 3273-78-7), with molecular formula C16H17Cl2NO and molecular weight 309.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-phenoxyaniline.
Chemical Property Profile of n,n-Bis(2-chloroethyl)-2-phenoxyaniline
Property Insights of n,n-Bis(2-chloroethyl)-2-phenoxyaniline
The XLogP value of 4.8 indicates that n,n-Bis(2-chloroethyl)-2-phenoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, n,n-Bis(2-chloroethyl)-2-phenoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Bis(2-chloroethyl)-2-phenoxyaniline has 0 hydrogen bond donor(s) and 2 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)-2-phenoxyaniline?
The CAS number of n,n-Bis(2-chloroethyl)-2-phenoxyaniline is 3273-78-7.
What is the molecular formula of n,n-Bis(2-chloroethyl)-2-phenoxyaniline?
The molecular formula of n,n-Bis(2-chloroethyl)-2-phenoxyaniline is C16H17Cl2NO.
What is the molecular weight of n,n-Bis(2-chloroethyl)-2-phenoxyaniline?
The molecular weight of n,n-Bis(2-chloroethyl)-2-phenoxyaniline is 309.07 g/mol.
Where can I buy n,n-Bis(2-chloroethyl)-2-phenoxyaniline?
You can request a quote for n,n-Bis(2-chloroethyl)-2-phenoxyaniline 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)-2-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Bis(2-chloroethyl)-2-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.