![1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate structure](/static/products/6206/62064-16-8.webp)
1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate
TL;DR: 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate (CAS 62064-16-8) is a chemical compound with molecular formula C8H14Cl2NO7P and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[bis(2-chloroethoxy)phosphoryl]-2-nitroethyl] acetate
Also Known As: [1-[bis(2-chloroethoxy)phosphoryl]-2-nitroethyl] acetate|1-[bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate|[1-[bis(2-chloroethoxy)phosphoryl]-2-nitro-ethyl] Acetate|1-[BIS(2-CHLOROETHOXY)PHOSPHORYL]-2-NITROETHYL ACETATE|Phosphonic acid, [1-(acetyloxy)-2-nitroethyl]-, bis(2-chloroethyl) ester
| Molecular Formula | C8H14Cl2NO7P |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | 1.8562 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.9885 |
| Heavy Atoms | 19 |
| Complexity | 325.98914 |
Chemical Identifiers
| CAS Number | 62064-16-8 |
|---|---|
| SMILES | CC(=O)OC(C[N+](=O)[O-])P(=O)(OCCCl)OCCCl |
Product Overview
1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate (CAS 62064-16-8), with molecular formula C8H14Cl2NO7P and molecular weight 336.99 g/mol. IUPAC: [1-[bis(2-chloroethoxy)phosphoryl]-2-nitroethyl] acetate.
Chemical Property Profile of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate
Property Insights of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate
The XLogP value of 1.8562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate. Following Lipinski's Rule of Five, 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate 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 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate?
The CAS number of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate is 62064-16-8.
What is the molecular formula of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate?
The molecular formula of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate is C8H14Cl2NO7P.
What is the molecular weight of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate?
The molecular weight of 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate is 336.99 g/mol.
Where can I buy 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate?
You can request a quote for 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-[Bis(2-chloroethoxy)carbonyl]-2-nitroethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.