![Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate structure](/static/products/831/831185-35-4.png)
Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate
TL;DR: Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate (CAS 831185-35-4) is a chemical compound with molecular formula C21H30N4O4 and molecular weight 402.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_011052, CBKinase1_023452, AO-022/43329351, methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate, BRD-K66693699-001-01-2
| Molecular Formula | C21H30N4O4 |
|---|---|
| Molecular Weight | 402.23 g/mol |
| LogP | 1.2175 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.2267 |
| Heavy Atoms | 29 |
| Complexity | 735.5529 |
Chemical Identifiers
| CAS Number | 831185-35-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)(C(=O)N)N3CCCCC3 |
Product Overview
Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate (CAS 831185-35-4), with molecular formula C21H30N4O4 and molecular weight 402.23 g/mol. IUPAC: methyl 4-[[2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate
Property Insights of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate
The XLogP value of 1.2175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate has 2 hydrogen bond donor(s) and 6 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-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate?
The CAS number of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate is 831185-35-4.
What is the molecular formula of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate?
The molecular formula of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate is C21H30N4O4.
What is the molecular weight of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate?
The molecular weight of Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate is 402.23 g/mol.
Where can I buy Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate?
You can request a quote for Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate 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-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(4-carbamoyl-4-piperidylpiperidyl)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.