![3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate structure](/static/products/862/862245-76-9.png)
3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
TL;DR: 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate (CAS 862245-76-9) is a chemical compound with molecular formula C25H32N4O2 and molecular weight 420.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-butan-2-yl-8-(2-methylpropyl)-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] 3-methylbutanoate
Also Known As: 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate, 3-(sec-butyl)-5-isobutyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 3-methylbutanoate
| Molecular Formula | C25H32N4O2 |
|---|---|
| Molecular Weight | 420.25 g/mol |
| LogP | 5.9582 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.25253 |
| Heavy Atoms | 31 |
| Complexity | 1249.0936 |
Chemical Identifiers
| CAS Number | 862245-76-9 |
|---|---|
| SMILES | CCC(C)N1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)CC(C)C)OC(=O)CC(C)C |
Product Overview
3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate (CAS 862245-76-9), with molecular formula C25H32N4O2 and molecular weight 420.25 g/mol. IUPAC: [5-butan-2-yl-8-(2-methylpropyl)-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] 3-methylbutanoate.
Chemical Property Profile of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
Property Insights of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
The XLogP value of 5.9582 indicates that 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate 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-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate. Following Lipinski's Rule of Five, 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The CAS number of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is 862245-76-9.
What is the molecular formula of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The molecular formula of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is C25H32N4O2.
What is the molecular weight of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The molecular weight of 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is 420.25 g/mol.
Where can I buy 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
You can request a quote for 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate 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-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(butan-2-yl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.