![(E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/395/395680-23-6.png)
(E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 395680-23-6) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3-[(E)-thiophen-2-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 2-hydroxy-8-methoxy-3-{[(E)-thiophen-2-ylmethylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 8-methoxy-3-[(E)-thiophen-2-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C16H12N4O3S |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 2.1234 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.06302 |
| Heavy Atoms | 24 |
| Complexity | 1181.9447 |
Chemical Identifiers
| CAS Number | 395680-23-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)/N=C/C4=CC=CS4 |
Product Overview
(E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 395680-23-6), with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol. IUPAC: 8-methoxy-3-[(E)-thiophen-2-ylmethylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.1234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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 (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 395680-23-6.
What is the molecular formula of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C16H12N4O3S.
What is the molecular weight of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 340.06 g/mol.
Where can I buy (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-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)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-methoxy-3-((thiophen-2-ylmethylene)amino)-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.