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Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate
TL;DR: Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate (CAS 42558-84-9) is a chemical compound with molecular formula C14H24Cl2N2O5 and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate
Also Known As: NCIOpen2_008363, L-Glutamic acid, diethyl ester, diethyl n-[bis(2-chloroethyl)carbamoyl]glutamate, diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate
| Molecular Formula | C14H24Cl2N2O5 |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 370.10623 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 42558-84-9 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)N(CCCl)CCCl |
| InChIKey | KUUQRDOEPCWRKX-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate (CAS 42558-84-9), with molecular formula C14H24Cl2N2O5 and molecular weight 370.11 g/mol. IUPAC: diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate.
Chemical Property Profile of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate
Property Insights of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate. Following Lipinski's Rule of Five, Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate has 1 hydrogen bond donor(s) and 5 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 Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate?
The CAS number of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate is 42558-84-9.
What is the molecular formula of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate?
The molecular formula of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate is C14H24Cl2N2O5.
What is the molecular weight of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate?
The molecular weight of Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate is 370.11 g/mol.
Where can I buy Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate?
You can request a quote for Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[bis(2-chloroethyl)carbamoylamino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.