![[5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch structure](/static/products/5716/57167-80-3.webp)
[5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch
TL;DR: [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch (CAS 57167-80-3) is a chemical compound with molecular formula C21H26Cl4N2O6 and molecular weight 542.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-chromen-7-yl] N,N-bis(2-chloroethyl)carbamate
Also Known As: [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch|[5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-chromen-7-yl] N,N-bis(2-chloroethyl)carbamate|2,2-Dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl bis[bis(2-chloroethyl)carbamate]
| Molecular Formula | C21H26Cl4N2O6 |
|---|---|
| Molecular Weight | 542.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 542.0545 |
| Heavy Atoms | 33 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 57167-80-3 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C=C(C=C2OC(=O)N(CCCl)CCCl)OC(=O)N(CCCl)CCCl)C |
| InChIKey | PERGWUGHTXRKKE-UHFFFAOYSA-N |
Product Overview
[5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch (CAS 57167-80-3), with molecular formula C21H26Cl4N2O6 and molecular weight 542.05 g/mol. IUPAC: [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-chromen-7-yl] N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch
Property Insights of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch
The XLogP value of 3.9 indicates that [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch. Following Lipinski's Rule of Five, [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch?
The CAS number of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch is 57167-80-3.
What is the molecular formula of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch?
The molecular formula of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch is C21H26Cl4N2O6.
What is the molecular weight of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch?
The molecular weight of [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch is 542.05 g/mol.
Where can I buy [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch?
You can request a quote for [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch?
Yes, KEHONG BIO provides custom synthesis services for [5-[bis(2-chloroethyl)carbamoyloxy]-2,2-dimethyl-4-oxo-3H-ch and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.