1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol
TL;DR: 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol (CAS 102280-36-4) is a chemical compound with molecular formula C21H21Cl2N3O and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-[bis(2-chloroethyl)aminomethyl]phenyl]diazenyl]naphthalen-2-ol
Also Known As: Pentanoic acid,4,4-dimethyl-,ethyl ester, 1-((p-((Bis(2-chloroethyl)amino)methyl)phenyl)azo)-2-naphthol, 4-16-00-00539 (Beilstein Handbook Reference), 1-(4-Bis(beta-chloroethyl)aminomethylphenylazo)-2-naphthol, 1-[[4-[bis(2-chloroethyl)aminomethyl]phenyl]diazenyl]naphthalen-2-ol
| Molecular Formula | C21H21Cl2N3O |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.10617 |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 102280-36-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)CN(CCCl)CCCl)O |
| InChIKey | YPBIIGUMIVSYKI-UHFFFAOYSA-N |
Product Overview
1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol (CAS 102280-36-4), with molecular formula C21H21Cl2N3O and molecular weight 401.11 g/mol. IUPAC: 1-[[4-[bis(2-chloroethyl)aminomethyl]phenyl]diazenyl]naphthalen-2-ol.
Chemical Property Profile of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol
Property Insights of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol
The XLogP value of 5.6 indicates that 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.2 Ų, 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol 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 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol?
The CAS number of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol is 102280-36-4.
What is the molecular formula of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol?
The molecular formula of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol is C21H21Cl2N3O.
What is the molecular weight of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol?
The molecular weight of 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol is 401.11 g/mol.
Where can I buy 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol?
You can request a quote for 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(4-((Bis(2-chloroethyl)amino)methyl)phenyl)diazenyl)-2-naphthalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.