![ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate structure](/static/products/899/899385-54-7.png)
ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
TL;DR: ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 899385-54-7) is a chemical compound with molecular formula C28H28N4O4 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-butanoyloxy-8-propyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-5-yl)benzoate
Also Known As: ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate, ethyl 3-[1-(butanoyloxy)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-yl]benzoate
| Molecular Formula | C28H28N4O4 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | 5.6611 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.21106 |
| Heavy Atoms | 36 |
| Complexity | 1598.0702 |
Chemical Identifiers
| CAS Number | 899385-54-7 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=CN2C3=CC=CC(=C3)C(=O)OCC)OC(=O)CCC)C4=NC5=CC=CC=C5N14 |
Product Overview
ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 899385-54-7), with molecular formula C28H28N4O4 and molecular weight 484.21 g/mol. IUPAC: ethyl 3-(3-butanoyloxy-8-propyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-5-yl)benzoate.
Chemical Property Profile of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
Property Insights of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
The XLogP value of 5.6611 indicates that ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate. Following Lipinski's Rule of Five, ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate 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 ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The CAS number of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 899385-54-7.
What is the molecular formula of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The molecular formula of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is C28H28N4O4.
What is the molecular weight of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The molecular weight of ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 484.21 g/mol.
Where can I buy ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
You can request a quote for ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1-(butyryloxy)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.