![11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/839/839701-01-8.png)
11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 839701-01-8) is a chemical compound with molecular formula C27H18ClN5O3 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1,3-benzodioxol-5-ylmethyl)-13-[(2-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 11-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C27H18ClN5O3 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.7731 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.1098 |
| Heavy Atoms | 36 |
| Complexity | 1877.7635 |
Chemical Identifiers
| CAS Number | 839701-01-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C=N4)CC7=CC=CC=C7Cl |
Product Overview
11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 839701-01-8), with molecular formula C27H18ClN5O3 and molecular weight 495.11 g/mol. IUPAC: 17-(1,3-benzodioxol-5-ylmethyl)-13-[(2-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 4.7731 indicates that 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one has 0 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 839701-01-8.
What is the molecular formula of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C27H18ClN5O3.
What is the molecular weight of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 495.11 g/mol.
Where can I buy 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.