![3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate structure](/static/products/862/862104-26-5.png)
3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate
TL;DR: 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate (CAS 862104-26-5) is a chemical compound with molecular formula C28H18Cl2N4O2 and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(4-chlorophenyl)-5-prop-2-enyl-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] 4-chlorobenzoate
Also Known As: 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate, 5-(4-chlorophenyl)-3-(prop-2-en-1-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-chlorobenzoate
| Molecular Formula | C28H18Cl2N4O2 |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 7.2162 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.0807 |
| Heavy Atoms | 36 |
| Complexity | 1785.2156 |
Chemical Identifiers
| CAS Number | 862104-26-5 |
|---|---|
| SMILES | C=CCN1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)OC(=O)C6=CC=C(C=C6)Cl |
Product Overview
3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate (CAS 862104-26-5), with molecular formula C28H18Cl2N4O2 and molecular weight 512.08 g/mol. IUPAC: [8-(4-chlorophenyl)-5-prop-2-enyl-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] 4-chlorobenzoate.
Chemical Property Profile of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate
Property Insights of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate
The XLogP value of 7.2162 indicates that 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate 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-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate. Following Lipinski's Rule of Five, 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate 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-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate?
The CAS number of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate is 862104-26-5.
What is the molecular formula of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate?
The molecular formula of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate is C28H18Cl2N4O2.
What is the molecular weight of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate?
The molecular weight of 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate is 512.08 g/mol.
Where can I buy 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate?
You can request a quote for 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-(4-chlorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.