![3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate structure](/static/products/899/899398-23-3.png)
3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
TL;DR: 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate (CAS 899398-23-3) is a chemical compound with molecular formula C26H32N4O2 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-pentyl-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) hexanoate
Also Known As: 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate, 5-pentyl-3-(prop-2-en-1-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl hexanoate
| Molecular Formula | C26H32N4O2 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 6.2416 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.25253 |
| Heavy Atoms | 32 |
| Complexity | 1251.3984 |
Chemical Identifiers
| CAS Number | 899398-23-3 |
|---|---|
| SMILES | CCCCCC1=NC2=C(C(=CN2CC=C)OC(=O)CCCCC)C3=NC4=CC=CC=C4N13 |
Product Overview
3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate (CAS 899398-23-3), with molecular formula C26H32N4O2 and molecular weight 432.25 g/mol. IUPAC: (8-pentyl-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) hexanoate.
Chemical Property Profile of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
Property Insights of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
The XLogP value of 6.2416 indicates that 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate 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-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate. Following Lipinski's Rule of Five, 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate 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-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The CAS number of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is 899398-23-3.
What is the molecular formula of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The molecular formula of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is C26H32N4O2.
What is the molecular weight of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The molecular weight of 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is 432.25 g/mol.
Where can I buy 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
You can request a quote for 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate 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-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.