N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea
TL;DR: N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea (CAS 104693-03-0) is a chemical compound with molecular formula C27H28ClN3O3 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-1-nitrosourea
Also Known As: Tamoxifen nitrosourea, N-Chloroethyl-dbpe-nitrosourea, 4-(2-methylsulfanylethyl)benzene-1,2-diol, 1-(2-chloroethyl)-3-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-1-nitrosourea, N-(2-Chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea
| Molecular Formula | C27H28ClN3O3 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 6.3663 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.18192 |
| Heavy Atoms | 34 |
| Complexity | 1087.1228 |
Chemical Identifiers
| CAS Number | 104693-03-0 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC(=O)N(CCCl)N=O)/C3=CC=CC=C3 |
Product Overview
N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea (CAS 104693-03-0), with molecular formula C27H28ClN3O3 and molecular weight 477.18 g/mol. IUPAC: 1-(2-chloroethyl)-3-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-1-nitrosourea.
Chemical Property Profile of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea
Property Insights of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea
The XLogP value of 6.3663 indicates that N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea. Following Lipinski's Rule of Five, N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea has 1 hydrogen bond donor(s) and 4 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'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea?
The CAS number of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea is 104693-03-0.
What is the molecular formula of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea?
The molecular formula of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea is C27H28ClN3O3.
What is the molecular weight of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea?
The molecular weight of N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea is 477.18 g/mol.
Where can I buy N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea?
You can request a quote for N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea 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'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)-N'-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.