)carboxamide structure](/static/products/844/844648-12-0.png)
N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide
TL;DR: N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide (CAS 844648-12-0) is a chemical compound with molecular formula C27H30ClN5O2 and molecular weight 491.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-6-imino-7-octyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide, N-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-2-imino-1-octyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H30ClN5O2 |
|---|---|
| Molecular Weight | 491.21 g/mol |
| LogP | 5.07257 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.2088 |
| Heavy Atoms | 35 |
| Complexity | 1474.4363 |
Chemical Identifiers
| CAS Number | 844648-12-0 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3Cl)C(=O)N4C=CC=CC4=N2 |
Product Overview
N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide (CAS 844648-12-0), with molecular formula C27H30ClN5O2 and molecular weight 491.21 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-6-imino-7-octyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide
Property Insights of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide
The XLogP value of 5.07257 indicates that N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide. Following Lipinski's Rule of Five, N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide?
The CAS number of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide is 844648-12-0.
What is the molecular formula of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular formula of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide is C27H30ClN5O2.
What is the molecular weight of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide?
The molecular weight of N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide is 491.21 g/mol.
Where can I buy N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide?
You can request a quote for N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chlorophenyl)methyl](2-imino-1-octyl-5-oxo(1,6-dihydropyridino[1,2-a]pyr idino[2,3-d]pyrimidin-3-yl))carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.