1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- (CAS 40478-25-9) is a chemical compound with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione
Also Known As: N-(Bis(2-chloraethyl)aminomethyl)phthalimid, N-(Bis(2-chloraethyl)aminomethyl)phthalimid [German], 5-21-10-00373 (Beilstein Handbook Reference), 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-, 2-((Bis(2-chloroethyl)amino)methyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C13H14Cl2N2O2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.04324 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 40478-25-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCCl)CCCl |
| InChIKey | NNESHRNTUABYGW-UHFFFAOYSA-N |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- (CAS 40478-25-9), with molecular formula C13H14Cl2N2O2 and molecular weight 300.04 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((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 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- is 40478-25-9.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- is C13H14Cl2N2O2.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- is 300.04 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-((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 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.