![ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate structure](/static/products/369/369393-70-4.png)
ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate (CAS 369393-70-4) is a chemical compound with molecular formula C30H27N5O3S and molecular weight 537.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(17-benzyl-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)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate, ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C30H27N5O3S |
|---|---|
| Molecular Weight | 537.18 g/mol |
| LogP | 5.38 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.1835 |
| Heavy Atoms | 39 |
| Complexity | 1842.4624 |
Chemical Identifiers
| CAS Number | 369393-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2C1CCCC2)N3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4CC7=CC=CC=C7 |
Product Overview
ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate (CAS 369393-70-4), with molecular formula C30H27N5O3S and molecular weight 537.18 g/mol. IUPAC: ethyl 2-(17-benzyl-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)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.38 indicates that ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate is 369393-70-4.
What is the molecular formula of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate is C30H27N5O3S.
What is the molecular weight of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate is 537.18 g/mol.
Where can I buy ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.