![3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate structure](/static/products/3270/327080-45-5.webp)
3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate
TL;DR: 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate (CAS 327080-45-5) is a chemical compound with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzyl-8-ethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl) propanoate
Also Known As: 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate, 3-benzyl-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate, 3H-Pyrrolo[2a(2),3a(2):4,5]pyrimido[1,6-a]benzimidazol-1-ol, 5-ethyl-3-(phenylmethyl)-, 1-propanoate
| Molecular Formula | C24H22N4O2 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 4.7633 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1743 |
| Heavy Atoms | 30 |
| Complexity | 1382.6713 |
Chemical Identifiers
| CAS Number | 327080-45-5 |
|---|---|
| SMILES | CCC1=NC2=C(C(=CN2CC3=CC=CC=C3)OC(=O)CC)C4=NC5=CC=CC=C5N14 |
Product Overview
3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate (CAS 327080-45-5), with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol. IUPAC: (5-benzyl-8-ethyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl) propanoate.
Chemical Property Profile of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate
Property Insights of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate
The XLogP value of 4.7633 indicates that 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate. Following Lipinski's Rule of Five, 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate?
The CAS number of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate is 327080-45-5.
What is the molecular formula of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate?
The molecular formula of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate is C24H22N4O2.
What is the molecular weight of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate?
The molecular weight of 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate is 398.17 g/mol.
Where can I buy 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate?
You can request a quote for 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.