![2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester structure](/static/products/371/371124-68-4.png)
2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester
TL;DR: 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester (CAS 371124-68-4) is a chemical compound with molecular formula C26H29N5O4S and molecular weight 507.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester, methyl 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-[[[2-amino-1-(3-ethoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester, 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester, methyl 2-({[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H29N5O4S |
|---|---|
| Molecular Weight | 507.19 g/mol |
| LogP | 4.5725 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.19403 |
| Heavy Atoms | 36 |
| Complexity | 1458.0834 |
Chemical Identifiers
| CAS Number | 371124-68-4 |
|---|---|
| SMILES | CCOCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)N |
Product Overview
2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester (CAS 371124-68-4), with molecular formula C26H29N5O4S and molecular weight 507.19 g/mol. IUPAC: methyl 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester
Property Insights of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester
The XLogP value of 4.5725 indicates that 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester?
The CAS number of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester is 371124-68-4.
What is the molecular formula of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester?
The molecular formula of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester is C26H29N5O4S.
What is the molecular weight of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester?
The molecular weight of 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester is 507.19 g/mol.
Where can I buy 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester?
You can request a quote for 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.