![3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate structure](/static/products/885/885197-35-3.png)
3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate (CAS 885197-35-3) is a chemical compound with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,3-benzodioxol-5-ylmethyl)-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-3-yl] butanoate
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-propyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate
| Molecular Formula | C27H26N4O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 5.2722 |
| Topological Polar Surface Area | 79.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.1954 |
| Heavy Atoms | 35 |
| Complexity | 1583.2628 |
Chemical Identifiers
| CAS Number | 885197-35-3 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=CN2CC3=CC4=C(C=C3)OCO4)OC(=O)CCC)C5=NC6=CC=CC=C6N15 |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate (CAS 885197-35-3), with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol. IUPAC: [5-(1,3-benzodioxol-5-ylmethyl)-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-3-yl] butanoate.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate
The XLogP value of 5.2722 indicates that 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate 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 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate is 885197-35-3.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate is C27H26N4O4.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate is 470.20 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.