Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
TL;DR: Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate (CAS 85391-82-8) is a chemical compound with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate
Also Known As: EINECS 286-837-4, Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate, methyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate, METHYL 4-[(2-AMINO-4-CHLOROPHENYL)AMINO]PIPERIDINE-1-CARBOXYLATE, 4-[(2-Amino-4-chlorophenyl)amino]-1-piperidinecarboxylic acid methyl ester
| Molecular Formula | C13H18ClN3O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.5649 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.10876 |
| Heavy Atoms | 19 |
| Complexity | 459.2016 |
Chemical Identifiers
| CAS Number | 85391-82-8 |
|---|---|
| SMILES | COC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N |
Product Overview
Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate (CAS 85391-82-8), with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol. IUPAC: methyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate.
Chemical Property Profile of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
Property Insights of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
The XLogP value of 2.5649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate has 2 hydrogen bond donor(s) and 4 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 Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate?
The CAS number of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate is 85391-82-8.
What is the molecular formula of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate?
The molecular formula of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate is C13H18ClN3O2.
What is the molecular weight of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate?
The molecular weight of Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate is 283.11 g/mol.
Where can I buy Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate?
You can request a quote for Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.