Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate
TL;DR: Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate (CAS 6617-72-7) is a chemical compound with molecular formula C14H15ClN2O5 and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate
Also Known As: methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate, methyl 1-[(4-chloro-2-nitrophenyl)carbonyl]piperidine-4-carboxylate, METHYL 1-(4-CHLORO-2-NITROBENZOYL)-4-PIPERIDINECARBOXYLATE
| Molecular Formula | C14H15ClN2O5 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.2734 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.06696 |
| Heavy Atoms | 22 |
| Complexity | 611.2508 |
Chemical Identifiers
| CAS Number | 6617-72-7 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate (CAS 6617-72-7), with molecular formula C14H15ClN2O5 and molecular weight 326.07 g/mol. IUPAC: methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate
Property Insights of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate
The XLogP value of 2.2734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate?
The CAS number of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate is 6617-72-7.
What is the molecular formula of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate?
The molecular formula of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate is C14H15ClN2O5.
What is the molecular weight of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate?
The molecular weight of Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate is 326.07 g/mol.
Where can I buy Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate?
You can request a quote for Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-chloro-2-nitrobenzoyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.