1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea
TL;DR: 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea (CAS 33279-46-8) is a chemical compound with molecular formula C9H15ClN2O and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-cyclohex-2-en-1-ylurea
Also Known As: 2-bromopropionyl alanine, 1-(2-chloroethyl)-3-cyclohex-2-en-1-ylurea, KST-1B3223, Urea,N-(2-chloroethyl)-N'-2-cyclohexen-1-yl-
| Molecular Formula | C9H15ClN2O |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.0873 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 33279-46-8 |
|---|---|
| SMILES | C1CC=CC(C1)NC(=O)NCCCl |
| InChIKey | UXOUUZMIGNHTRN-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea (CAS 33279-46-8), with molecular formula C9H15ClN2O and molecular weight 202.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-cyclohex-2-en-1-ylurea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea
Property Insights of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea has 2 hydrogen bond donor(s) and 1 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-cyclohex-2-en-1-ylurea?
The CAS number of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea is 33279-46-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea?
The molecular formula of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea is C9H15ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea?
The molecular weight of 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea is 202.09 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea?
You can request a quote for 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea 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-cyclohex-2-en-1-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-cyclohex-2-en-1-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.