Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride
TL;DR: Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride (CAS 1697-06-9) is a chemical compound with molecular formula C16H30Cl6N4O2 and molecular weight 520.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]-1-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazin-1-yl]ethanone;dihydrochloride
Also Known As: KST-1B0960, 1,4-Bis((bis(2-chloroethyl)amino)acetyl)piperazine dihydrochloride, 1,1'-piperazine-1,4-diylbis{2-[bis(2-chloroethyl)amino]ethanone} dihydrochloride, Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride, 1,1'-(Piperazine-1,4-diyl)bis{2-[bis(2-chloroethyl)amino]ethan-1-one}--hydrogen chloride (1/2)
| Molecular Formula | C16H30Cl6N4O2 |
|---|---|
| Molecular Weight | 520.05 g/mol |
| LogP | 2.06 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 522.04706 |
| Heavy Atoms | 28 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 1697-06-9 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CN(CCCl)CCCl)C(=O)CN(CCCl)CCCl.Cl.Cl |
| InChIKey | AGLJUXAEYNLVOB-UHFFFAOYSA-N |
Product Overview
Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride (CAS 1697-06-9), with molecular formula C16H30Cl6N4O2 and molecular weight 520.05 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]-1-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazin-1-yl]ethanone;dihydrochloride.
Chemical Property Profile of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride
Property Insights of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 47.1 Ų, Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride has 2 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 Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride?
The CAS number of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride is 1697-06-9.
What is the molecular formula of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride?
The molecular formula of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride is C16H30Cl6N4O2.
What is the molecular weight of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride?
The molecular weight of Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride is 520.05 g/mol.
Where can I buy Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride?
You can request a quote for Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.