Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester
TL;DR: Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester (CAS 101756-23-4) is a chemical compound with molecular formula C12H20Cl2N2O6 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate
Also Known As: ((Bis(2-chloroethyl)amino)methyl)nitromalonic acid diethyl ester, Diethyl 2-(bis(2-chloroethyl)aminomethyl)-2-nitromalonate, MALONIC ACID, ((BIS(2-CHLOROETHYL)AMINO)METHYL)NITRO-, DIETHYL ESTER, diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate, ((Bis(2-chloroethyl)amino)methyl)nitromalonicaciddiethylester
| Molecular Formula | C12H20Cl2N2O6 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 358.06985 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 101756-23-4 |
|---|---|
| SMILES | CCOC(=O)C(CN(CCCl)CCCl)(C(=O)OCC)[N+](=O)[O-] |
| InChIKey | PTQYBJIFXRFYNK-UHFFFAOYSA-N |
Product Overview
Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester (CAS 101756-23-4), with molecular formula C12H20Cl2N2O6 and molecular weight 358.07 g/mol. IUPAC: diethyl 2-[bis(2-chloroethyl)aminomethyl]-2-nitropropanedioate.
Chemical Property Profile of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester
Property Insights of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester. Following Lipinski's Rule of Five, Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester has 0 hydrogen bond donor(s) and 7 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 Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester?
The CAS number of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester is 101756-23-4.
What is the molecular formula of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester?
The molecular formula of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester is C12H20Cl2N2O6.
What is the molecular weight of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester?
The molecular weight of Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester is 358.07 g/mol.
Where can I buy Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester?
You can request a quote for Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, ((bis(2-chloroethyl)amino)methyl)nitro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.