![methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3694/369401-87-6.webp)
methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 369401-87-6) is a chemical compound with molecular formula C33H31N5O5S and molecular weight 609.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[17-[2-(3,4-dimethoxyphenyl)ethyl]-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-[11-[2-(3,4-dimethoxyphenyl)ethyl]-4,11-dihydro-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-(11-(2-(3,4-dimethoxyphenyl)ethyl)-4,11-dihydro-2-methyl-4-oxo-3H-pyrimido(5',4':4,5)pyrrolo(2,3-b)quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate, Methyl 2-[11-[2-(3,4-dimethoxyphenyl)ethyl]-4,11-dihydro-2-methyl-4-oxo-3H-pyrimido[5a(2),4a(2):4,5]pyrrolo[2,3-b]quinoxalin-3-yl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C33H31N5O5S |
|---|---|
| Molecular Weight | 609.20 g/mol |
| LogP | 5.57882 |
| Topological Polar Surface Area | 110.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 609.2046 |
| Heavy Atoms | 44 |
| Complexity | 2162.268 |
Chemical Identifiers
| CAS Number | 369401-87-6 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1C6=C(C7=C(S6)CCCC7)C(=O)OC |
Product Overview
methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 369401-87-6), with molecular formula C33H31N5O5S and molecular weight 609.20 g/mol. IUPAC: methyl 2-[17-[2-(3,4-dimethoxyphenyl)ethyl]-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 5.57882 indicates that methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 369401-87-6.
What is the molecular formula of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C33H31N5O5S.
What is the molecular weight of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 609.20 g/mol.
Where can I buy methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(11-(3,4-dimethoxyphenethyl)-2-methyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.