![ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate structure](/static/products/848/848867-72-1.png)
ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate
TL;DR: ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate (CAS 848867-72-1) is a chemical compound with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(7-benzyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonyl)piperidine-4-carboxylate
Also Known As: ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate, ethyl 1-(1-benzyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonyl)piperidine-4-carboxylate, ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-yl)carbonyl]piperidine-4-carboxylate
| Molecular Formula | C27H27N5O4 |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 2.59227 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.2063 |
| Heavy Atoms | 36 |
| Complexity | 1566.6964 |
Chemical Identifiers
| CAS Number | 848867-72-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CC=CC=C5 |
Product Overview
ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate (CAS 848867-72-1), with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol. IUPAC: ethyl 1-(7-benzyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonyl)piperidine-4-carboxylate.
Chemical Property Profile of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate
Property Insights of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate
The XLogP value of 2.59227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate has 1 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 ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate?
The CAS number of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate is 848867-72-1.
What is the molecular formula of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate?
The molecular formula of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate is C27H27N5O4.
What is the molecular weight of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate?
The molecular weight of ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate is 485.21 g/mol.
Where can I buy ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate?
You can request a quote for ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[(1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl)carbonyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.