![3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/381/381699-72-5.png)
3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 381699-72-5) is a chemical compound with molecular formula C28H19N5O5 and molecular weight 505.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,17-bis(1,3-benzodioxol-5-ylmethyl)-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: 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3,11-bis(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C28H19N5O5 |
|---|---|
| Molecular Weight | 505.14 g/mol |
| LogP | 3.8484 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.1386 |
| Heavy Atoms | 38 |
| Complexity | 1979.1271 |
Chemical Identifiers
| CAS Number | 381699-72-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4CC7=CC8=C(C=C7)OCO8 |
Product Overview
3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 381699-72-5), with molecular formula C28H19N5O5 and molecular weight 505.14 g/mol. IUPAC: 13,17-bis(1,3-benzodioxol-5-ylmethyl)-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 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 3.8484 indicates that 3,11-bis(1,3-benzodioxol-5-ylmethyl)-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 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 381699-72-5.
What is the molecular formula of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C28H19N5O5.
What is the molecular weight of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 505.14 g/mol.
Where can I buy 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 3,11-bis(1,3-benzodioxol-5-ylmethyl)-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 3,11-bis(1,3-benzodioxol-5-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,11-bis(1,3-benzodioxol-5-ylmethyl)-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.