1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
TL;DR: 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea (CAS 33162-17-3) is a chemical compound with molecular formula C7H13ClN2O5S2 and molecular weight 304.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
Also Known As: D-2-Methylphenylalanine, KST-1B3184, 1-(2-chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea, 1-(2-chloroethyl)-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea, Urea,N-(2-chloroethyl)-N'-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)-
| Molecular Formula | C7H13ClN2O5S2 |
|---|---|
| Molecular Weight | 304.00 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.99545 |
| Heavy Atoms | 17 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 33162-17-3 |
|---|---|
| SMILES | C1C(CS(=O)(=O)CS1(=O)=O)NC(=O)NCCCl |
| InChIKey | OMRUXKZIXIQZCO-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea (CAS 33162-17-3), with molecular formula C7H13ClN2O5S2 and molecular weight 304.00 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
Property Insights of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea
The XLogP value of -1.4 indicates that 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea has 2 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 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea is 33162-17-3.
What is the molecular formula of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea is C7H13ClN2O5S2.
What is the molecular weight of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea is 304.00 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(1,1,3,3-tetraoxido-1,3-dithian-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.