Chloroethylmethylnitrosourea
TL;DR: Chloroethylmethylnitrosourea (CAS 29655-34-3) is a chemical compound with molecular formula C4H8ClN3O2 and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-methyl-1-nitrosourea
Also Known As: Chloroethylmethylnitrosourea, 1-Methyl-3-(2-chloroethyl)-1-nitrosourea, 3-(2-Chloroethyl)-1-methyl-1-nitrosourea, N'-(2-Chloroethyl)-N-methyl-N-nitrosourea, Urea, N'-(2-chloroethyl)-N-methyl-N-nitroso-
| Molecular Formula | C4H8ClN3O2 |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.0305 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 29655-34-3 |
|---|---|
| SMILES | CN(C(=O)NCCCl)N=O |
| InChIKey | LQTIRBDBDLBOTK-UHFFFAOYSA-N |
Product Overview
Chloroethylmethylnitrosourea (CAS 29655-34-3), with molecular formula C4H8ClN3O2 and molecular weight 165.03 g/mol. IUPAC: 3-(2-chloroethyl)-1-methyl-1-nitrosourea.
Chemical Property Profile of Chloroethylmethylnitrosourea
Property Insights of Chloroethylmethylnitrosourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroethylmethylnitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroethylmethylnitrosourea. Following Lipinski's Rule of Five, Chloroethylmethylnitrosourea 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 Chloroethylmethylnitrosourea?
The CAS number of Chloroethylmethylnitrosourea is 29655-34-3.
What is the molecular formula of Chloroethylmethylnitrosourea?
The molecular formula of Chloroethylmethylnitrosourea is C4H8ClN3O2.
What is the molecular weight of Chloroethylmethylnitrosourea?
The molecular weight of Chloroethylmethylnitrosourea is 165.03 g/mol.
Where can I buy Chloroethylmethylnitrosourea?
You can request a quote for Chloroethylmethylnitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroethylmethylnitrosourea?
Yes, KEHONG BIO provides custom synthesis services for Chloroethylmethylnitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.