![Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate structure](/static/products/7750/77503-29-8.webp)
Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate
TL;DR: Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate (CAS 77503-29-8) is a chemical compound with molecular formula C9H16Cl2N2O3 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate
Also Known As: ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate, ethyl n-[bis(2-chloroethyl)carbamoyl]glycinate, N,N-Bis-(2-chlor-aethyl)-N'-aethoxycarbonylmethyl-harnstoff
| Molecular Formula | C9H16Cl2N2O3 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.0538 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 77503-29-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)N(CCCl)CCCl |
| InChIKey | XYGDNFPPZQZKND-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate (CAS 77503-29-8), with molecular formula C9H16Cl2N2O3 and molecular weight 270.05 g/mol. IUPAC: ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate.
Chemical Property Profile of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate
Property Insights of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate has 1 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 Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate?
The CAS number of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate is 77503-29-8.
What is the molecular formula of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate?
The molecular formula of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate is C9H16Cl2N2O3.
What is the molecular weight of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate?
The molecular weight of Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate is 270.05 g/mol.
Where can I buy Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate?
You can request a quote for Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[bis(2-chloroethyl)carbamoylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.