2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone
TL;DR: 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone (CAS 2158-71-6) is a chemical compound with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dione
Also Known As: Benzoquinone mustard, P-benzoquinone mustard, 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone, 1,4-Benzoquinone,2-(N,N-bis -, Di(2'-chloroethyl)amino-1,4-benzoquinone
| Molecular Formula | C10H11Cl2NO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.01668 |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 2158-71-6 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)N(CCCl)CCCl |
| InChIKey | CEKWNTVRJDNREA-UHFFFAOYSA-N |
Product Overview
2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone (CAS 2158-71-6), with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone
Property Insights of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone. With a topological polar surface area (TPSA) of 37.4 Ų, 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone has 0 hydrogen bond donor(s) and 3 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 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone?
The CAS number of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone is 2158-71-6.
What is the molecular formula of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone?
The molecular formula of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone is C10H11Cl2NO2.
What is the molecular weight of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone?
The molecular weight of 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone is 247.02 g/mol.
Where can I buy 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone?
You can request a quote for 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(2-chloroethyl)amino)-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.