![5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate structure](/static/products/885/885176-90-9.png)
5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate
TL;DR: 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate (CAS 885176-90-9) is a chemical compound with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-methyl-5-(2-morpholin-4-ylethyl)-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] acetate
Also Known As: 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate, 5-methyl-3-[2-(morpholin-4-yl)ethyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
| Molecular Formula | C21H23N5O3 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 2.40312 |
| Topological Polar Surface Area | 73.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.18008 |
| Heavy Atoms | 29 |
| Complexity | 1219.7104 |
Chemical Identifiers
| CAS Number | 885176-90-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=CN2CCN3CCOCC3)OC(=O)C)C4=NC5=CC=CC=C5N14 |
Product Overview
5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate (CAS 885176-90-9), with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol. IUPAC: [8-methyl-5-(2-morpholin-4-ylethyl)-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] acetate.
Chemical Property Profile of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate
Property Insights of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate
The XLogP value of 2.40312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate. The TPSA of 73.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate. Following Lipinski's Rule of Five, 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate has 0 hydrogen bond donor(s) and 6 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 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate?
The CAS number of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate is 885176-90-9.
What is the molecular formula of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate?
The molecular formula of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate is C21H23N5O3.
What is the molecular weight of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate?
The molecular weight of 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate is 393.18 g/mol.
Where can I buy 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate?
You can request a quote for 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-(2-morpholinoethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.