![3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/372/372496-92-9.png)
3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 372496-92-9) is a chemical compound with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[[3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C22H18N4O5 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 2.8458 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.12772 |
| Heavy Atoms | 31 |
| Complexity | 1506.3878 |
Chemical Identifiers
| CAS Number | 372496-92-9 |
|---|---|
| SMILES | CC(=CC1=CC2=C(C=C1)OCO2)C=NN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=O |
Product Overview
3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 372496-92-9), with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol. IUPAC: 3-[[3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.8458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 110.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 372496-92-9.
What is the molecular formula of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C22H18N4O5.
What is the molecular weight of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 418.13 g/mol.
Where can I buy 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.