2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-
TL;DR: 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- (CAS 40478-24-8) is a chemical compound with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-chloroethyl)aminomethyl]pyrrolidine-2,5-dione
Also Known As: NCIOpen2_002657, N-(Bis(2-chloraethyl)aminomethyl)-succinimid, N-Hydroxymethyl-4-fluorbenzoesaeureamid, 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-, N-(Bis(2-chloraethyl)aminomethyl)-succinimid [German]
| Molecular Formula | C9H14Cl2N2O2 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.04323 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40478-24-8 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)CN(CCCl)CCCl |
| InChIKey | LJPBDPWGKBOZBD-UHFFFAOYSA-N |
Product Overview
2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- (CAS 40478-24-8), with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol. IUPAC: 1-[bis(2-chloroethyl)aminomethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-
Property Insights of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)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 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-?
The CAS number of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- is 40478-24-8.
What is the molecular formula of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-?
The molecular formula of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- is C9H14Cl2N2O2.
What is the molecular weight of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-?
The molecular weight of 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- is 252.04 g/mol.
Where can I buy 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-?
You can request a quote for 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Pyrrolidinedione, 1-((bis(2-chloroethyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.