![3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/836/836633-72-8.png)
3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836633-72-8) is a chemical compound with molecular formula C29H24ClN5O3 and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(2-chlorophenyl)methyl]-17-[2-(3,4-dimethoxyphenyl)ethyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(2-chlorobenzyl)-11-[2-(3,4-dimethoxyphenyl)ethyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C29H24ClN5O3 |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 5.256 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.15674 |
| Heavy Atoms | 38 |
| Complexity | 1878.568 |
Chemical Identifiers
| CAS Number | 836633-72-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CC=C6Cl)OC |
Product Overview
3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836633-72-8), with molecular formula C29H24ClN5O3 and molecular weight 525.16 g/mol. IUPAC: 13-[(2-chlorophenyl)methyl]-17-[2-(3,4-dimethoxyphenyl)ethyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 5.256 indicates that 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 836633-72-8.
What is the molecular formula of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C29H24ClN5O3.
What is the molecular weight of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 525.16 g/mol.
Where can I buy 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorobenzyl)-11-(3,4-dimethoxyphenethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.