3-Carbamimidoyl-1-(3-chlorophenyl)urea
TL;DR: 3-Carbamimidoyl-1-(3-chlorophenyl)urea (CAS 52632-39-0) is a chemical compound with molecular formula C8H9ClN4O and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(diaminomethylidene)urea
Also Known As: 3-carbamimidoyl-1-(3-chlorophenyl)urea, N-carbamimidoyl-N'-(3-chloro-phenyl)-urea, 1-(3-chlorophenyl)-3-(diaminomethylidene)urea, 3-(3-chlorophenyl)-1-(diaminomethylidene)urea, N-[(E)-amino(imino)methyl]-N''-(3-chlorophenyl)urea
| Molecular Formula | C8H9ClN4O |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 1.1453 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.0465 |
| Heavy Atoms | 14 |
| Complexity | 373.35895 |
Chemical Identifiers
| CAS Number | 52632-39-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)N=C(N)N |
Product Overview
3-Carbamimidoyl-1-(3-chlorophenyl)urea (CAS 52632-39-0), with molecular formula C8H9ClN4O and molecular weight 212.05 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(diaminomethylidene)urea.
Chemical Property Profile of 3-Carbamimidoyl-1-(3-chlorophenyl)urea
Property Insights of 3-Carbamimidoyl-1-(3-chlorophenyl)urea
The XLogP value of 1.1453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbamimidoyl-1-(3-chlorophenyl)urea. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamimidoyl-1-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 3-Carbamimidoyl-1-(3-chlorophenyl)urea has 3 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 3-Carbamimidoyl-1-(3-chlorophenyl)urea?
The CAS number of 3-Carbamimidoyl-1-(3-chlorophenyl)urea is 52632-39-0.
What is the molecular formula of 3-Carbamimidoyl-1-(3-chlorophenyl)urea?
The molecular formula of 3-Carbamimidoyl-1-(3-chlorophenyl)urea is C8H9ClN4O.
What is the molecular weight of 3-Carbamimidoyl-1-(3-chlorophenyl)urea?
The molecular weight of 3-Carbamimidoyl-1-(3-chlorophenyl)urea is 212.05 g/mol.
Where can I buy 3-Carbamimidoyl-1-(3-chlorophenyl)urea?
You can request a quote for 3-Carbamimidoyl-1-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamimidoyl-1-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamimidoyl-1-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.