Aniline, N,N-bis(2-chloroethyl)-p-butoxy-
TL;DR: Aniline, N,N-bis(2-chloroethyl)-p-butoxy- (CAS 27077-15-2) is a chemical compound with molecular formula C14H21Cl2NO and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N,N-bis(2-chloroethyl)aniline
Also Known As: N,N-Bis -p-butoxyaniline, N,N-Bis(2-chloroethyl)-p-butoxyaniline, 4-butoxy-N,N-bis(2-chloroethyl)aniline, Aniline,N-bis(2-chloroethyl)-, Aniline, p-butoxy-N,N-bis(2-chloroethyl)-
| Molecular Formula | C14H21Cl2NO |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 289.1 |
| Heavy Atoms | 18 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 27077-15-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | FCMYHWFGMCDHDW-UHFFFAOYSA-N |
Product Overview
Aniline, N,N-bis(2-chloroethyl)-p-butoxy- (CAS 27077-15-2), with molecular formula C14H21Cl2NO and molecular weight 289.10 g/mol. IUPAC: 4-butoxy-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of Aniline, N,N-bis(2-chloroethyl)-p-butoxy-
Property Insights of Aniline, N,N-bis(2-chloroethyl)-p-butoxy-
The XLogP value of 4.6 indicates that Aniline, N,N-bis(2-chloroethyl)-p-butoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Aniline, N,N-bis(2-chloroethyl)-p-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N,N-bis(2-chloroethyl)-p-butoxy- 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 Aniline, N,N-bis(2-chloroethyl)-p-butoxy-?
The CAS number of Aniline, N,N-bis(2-chloroethyl)-p-butoxy- is 27077-15-2.
What is the molecular formula of Aniline, N,N-bis(2-chloroethyl)-p-butoxy-?
The molecular formula of Aniline, N,N-bis(2-chloroethyl)-p-butoxy- is C14H21Cl2NO.
What is the molecular weight of Aniline, N,N-bis(2-chloroethyl)-p-butoxy-?
The molecular weight of Aniline, N,N-bis(2-chloroethyl)-p-butoxy- is 289.10 g/mol.
Where can I buy Aniline, N,N-bis(2-chloroethyl)-p-butoxy-?
You can request a quote for Aniline, N,N-bis(2-chloroethyl)-p-butoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N,N-bis(2-chloroethyl)-p-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N,N-bis(2-chloroethyl)-p-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.