N-(2-Chloroethyl)-N'-heptan-2-ylurea
TL;DR: N-(2-Chloroethyl)-N'-heptan-2-ylurea (CAS 61367-36-0) is a chemical compound with molecular formula C10H21ClN2O and molecular weight 220.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-heptan-2-ylurea
Also Known As: 1-(2-chloroethyl)-3-heptan-2-ylurea, N-(2-Chloroethyl)-N'-heptan-2-ylurea, 3-(2-chloroethyl)-1-(heptan-2-yl)urea, N-(2-Chloroethyl)-N'-(heptan-2-yl)urea, Urea, N-(2-chloroethyl)-N'-(1-methylhexyl)-
| Molecular Formula | C10H21ClN2O |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.13425 |
| Heavy Atoms | 14 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 61367-36-0 |
|---|---|
| SMILES | CCCCCC(C)NC(=O)NCCCl |
| InChIKey | JLJDFZSMSFLYEK-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N'-heptan-2-ylurea (CAS 61367-36-0), with molecular formula C10H21ClN2O and molecular weight 220.13 g/mol. IUPAC: 1-(2-chloroethyl)-3-heptan-2-ylurea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-heptan-2-ylurea
Property Insights of N-(2-Chloroethyl)-N'-heptan-2-ylurea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-heptan-2-ylurea. With a topological polar surface area (TPSA) of 41.1 Ų, N-(2-Chloroethyl)-N'-heptan-2-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-heptan-2-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 N-(2-Chloroethyl)-N'-heptan-2-ylurea?
The CAS number of N-(2-Chloroethyl)-N'-heptan-2-ylurea is 61367-36-0.
What is the molecular formula of N-(2-Chloroethyl)-N'-heptan-2-ylurea?
The molecular formula of N-(2-Chloroethyl)-N'-heptan-2-ylurea is C10H21ClN2O.
What is the molecular weight of N-(2-Chloroethyl)-N'-heptan-2-ylurea?
The molecular weight of N-(2-Chloroethyl)-N'-heptan-2-ylurea is 220.13 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-heptan-2-ylurea?
You can request a quote for N-(2-Chloroethyl)-N'-heptan-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-heptan-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-heptan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.