![11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine structure](/static/products/4529/452927-80-9.webp)
11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine
TL;DR: 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine (CAS 452927-80-9) is a chemical compound with molecular formula C19H14N6 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-benzyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-12-amine
Also Known As: ChemDiv2_000752, CBKinase1_007457, CBKinase1_019857, BAS 03080641, 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine
| Molecular Formula | C19H14N6 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.128 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 452927-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=NC=NC(=C3C4=NC5=CC=CC=C5N=C42)N |
| InChIKey | JHBCZSZYWBZQPQ-UHFFFAOYSA-N |
Product Overview
11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine (CAS 452927-80-9), with molecular formula C19H14N6 and molecular weight 326.13 g/mol. IUPAC: 17-benzyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-12-amine.
Chemical Property Profile of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine
Property Insights of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine. Following Lipinski's Rule of Five, 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine has 1 hydrogen bond donor(s) and 5 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 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine?
The CAS number of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine is 452927-80-9.
What is the molecular formula of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine?
The molecular formula of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine is C19H14N6.
What is the molecular weight of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine?
The molecular weight of 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine is 326.13 g/mol.
Where can I buy 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine?
You can request a quote for 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 11-benzyl-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.