N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid
TL;DR: N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid (CAS 13908-14-0) is a chemical compound with molecular formula C10H19ClN2O and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3-methylcyclohexyl)urea
Also Known As: 1-(2-Chloroethyl)-3-(3-methylcyclohexyl)urea, Urea, 1-(2-chloroethyl)-3-(3-methylcyclohexyl)-, 3-(2-CHLOROETHYL)-1-(3-METHYLCYCLOHEXYL)UREA, Urea,n-(2-chloroethyl)-n-(3-methylcyclohexyl)-, N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid
| Molecular Formula | C10H19ClN2O |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.11859 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 13908-14-0 |
|---|---|
| SMILES | CC1CCCC(C1)NC(=O)NCCCl |
| InChIKey | ZEXAHTHOEXBQHM-UHFFFAOYSA-N |
Product Overview
N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid (CAS 13908-14-0), with molecular formula C10H19ClN2O and molecular weight 218.12 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3-methylcyclohexyl)urea.
Chemical Property Profile of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid
Property Insights of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid. With a topological polar surface area (TPSA) of 41.1 Ų, N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid 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-(3-methylcyclohexyl)carbamimidic acid?
The CAS number of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid is 13908-14-0.
What is the molecular formula of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid?
The molecular formula of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid is C10H19ClN2O.
What is the molecular weight of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid?
The molecular weight of N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid is 218.12 g/mol.
Where can I buy N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid?
You can request a quote for N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid 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-(3-methylcyclohexyl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Chloroethyl)-N-(3-methylcyclohexyl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.