N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
TL;DR: N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate (CAS 104691-77-2) is a chemical compound with molecular formula C27H27ClN2O4 and molecular weight 478.17 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)-N-nitrosocarbamate
Also Known As: Tamoxifen nitrosocarbamate, N-Nitroso-dbpe-carbamate, N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate, 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl N-(2-chloroethyl)-N-nitrosocarbamate, Carbamic acid, (2-chloroethyl)nitroso-, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)ethyl ester, (Z)-
| Molecular Formula | C27H27ClN2O4 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 6.7933 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 478.16592 |
| Heavy Atoms | 34 |
| Complexity | 1086.6326 |
Chemical Identifiers
| CAS Number | 104691-77-2 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCOC(=O)N(CCCl)N=O)/C3=CC=CC=C3 |
Product Overview
N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate (CAS 104691-77-2), with molecular formula C27H27ClN2O4 and molecular weight 478.17 g/mol. IUPAC: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
Property Insights of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
The XLogP value of 6.7933 indicates that N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate has 0 hydrogen bond donor(s) and 5 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)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The CAS number of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is 104691-77-2.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is C27H27ClN2O4.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate is 478.17 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-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)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.