![3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate structure](/static/products/861/861644-04-4.png)
3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
TL;DR: 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate (CAS 861644-04-4) is a chemical compound with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-butan-2-yl-8-methyl-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: 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate, 3-(sec-butyl)-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate
| Molecular Formula | C19H20N4O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 4.04192 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.15863 |
| Heavy Atoms | 25 |
| Complexity | 1123.0154 |
Chemical Identifiers
| CAS Number | 861644-04-4 |
|---|---|
| SMILES | CCC(C)N1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)C)OC(=O)C |
Product Overview
3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate (CAS 861644-04-4), with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol. IUPAC: (5-butan-2-yl-8-methyl-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 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
Property Insights of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
The XLogP value of 4.04192 indicates that 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate 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-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate. Following Lipinski's Rule of Five, 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate 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-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The CAS number of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is 861644-04-4.
What is the molecular formula of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The molecular formula of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is C19H20N4O2.
What is the molecular weight of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The molecular weight of 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is 336.16 g/mol.
Where can I buy 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
You can request a quote for 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-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 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(butan-2-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.