1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea
TL;DR: 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea (CAS 58525-73-8) is a chemical compound with molecular formula C8H15ClN2O5 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea
Also Known As: N-[(2-Chloroethyl)carbamoyl]pentopyranosylamine, 1-(2-chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea
| Molecular Formula | C8H15ClN2O5 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06696 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 58525-73-8 |
|---|---|
| SMILES | C1C(C(C(C(O1)NC(=O)NCCCl)O)O)O |
| InChIKey | SXYDVKPBLFGTNF-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea (CAS 58525-73-8), with molecular formula C8H15ClN2O5 and molecular weight 254.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea
Property Insights of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea
The XLogP value of -2.1 indicates that 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea has 5 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-(3,4,5-trihydroxyoxan-2-yl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea is 58525-73-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea is C8H15ClN2O5.
What is the molecular weight of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea is 254.07 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-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-(3,4,5-trihydroxyoxan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(3,4,5-trihydroxyoxan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.