p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-
TL;DR: p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- (CAS 2158-70-5) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-, 2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione, 2-Methyl-5-(di-2'-chloroethylamino)-1,4-benzoquinone, 3-[3-hydroxypropyl(methyl)amino]propan-1-ol, 4-14-00-00381 (Beilstein Handbook Reference)
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 2158-70-5 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)N(CCCl)CCCl |
| InChIKey | ZHVDCYMYIRXUAB-UHFFFAOYSA-N |
Product Overview
p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- (CAS 2158-70-5), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-
Property Insights of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-. With a topological polar surface area (TPSA) of 37.4 Ų, p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- 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 p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-?
The CAS number of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- is 2158-70-5.
What is the molecular formula of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-?
The molecular formula of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- is C11H13Cl2NO2.
What is the molecular weight of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-?
The molecular weight of p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- is 261.03 g/mol.
Where can I buy p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-?
You can request a quote for p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for p-Benzoquinone, 5-(di-2'-chloroethylamino)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.