N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
TL;DR: N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate (CAS 104691-76-1) is a chemical compound with molecular formula C27H28ClNO3 and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl N-(2-chloroethyl)carbamate
Also Known As: N-Chloroethyl-dbpe-carbamate, N-(2-Chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate, 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl N-(2-chloroethyl)carbamate, Carbamic acid, (2-chloroethyl)-, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)ethyl ester, (Z)-, RefChem:161701
| Molecular Formula | C27H28ClNO3 |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 6.3995 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.17578 |
| Heavy Atoms | 32 |
| Complexity | 1002.09106 |
Chemical Identifiers
| CAS Number | 104691-76-1 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCOC(=O)NCCCl)/C3=CC=CC=C3 |
Product Overview
N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate (CAS 104691-76-1), with molecular formula C27H28ClNO3 and molecular weight 449.18 g/mol. IUPAC: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
Property Insights of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
The XLogP value of 6.3995 indicates that N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The CAS number of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is 104691-76-1.
What is the molecular formula of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The molecular formula of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is C27H28ClNO3.
What is the molecular weight of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The molecular weight of N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is 449.18 g/mol.
Where can I buy N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
You can request a quote for N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.