![(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/373/373618-77-0.png)
(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 373618-77-0) is a chemical compound with molecular formula C19H14N4O5 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C19H14N4O5 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 1.7906 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0964 |
| Heavy Atoms | 28 |
| Complexity | 1379.0999 |
Chemical Identifiers
| CAS Number | 373618-77-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)/N=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 373618-77-0), with molecular formula C19H14N4O5 and molecular weight 378.10 g/mol. IUPAC: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 1.7906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)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 (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)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 (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 373618-77-0.
What is the molecular formula of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C19H14N4O5.
What is the molecular weight of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 378.10 g/mol.
Where can I buy (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)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 (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)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.