![(E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/840/840460-80-2.png)
(E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 840460-80-2) is a chemical compound with molecular formula C25H27N5O5 and molecular weight 477.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 7,8-dimethoxy-3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 7,8-dimethoxy-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C25H27N5O5 |
|---|---|
| Molecular Weight | 477.20 g/mol |
| LogP | 2.6749 |
| Topological Polar Surface Area | 113.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.20123 |
| Heavy Atoms | 35 |
| Complexity | 1542.1631 |
Chemical Identifiers
| CAS Number | 840460-80-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=O)C3=C(C4=CC(=C(C=C4N3)OC)OC)NC2=O)CN5CCCC5 |
Product Overview
(E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 840460-80-2), with molecular formula C25H27N5O5 and molecular weight 477.20 g/mol. IUPAC: 7,8-dimethoxy-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.6749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 113.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 hydrogen bond donor(s) and 7 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)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 840460-80-2.
What is the molecular formula of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C25H27N5O5.
What is the molecular weight of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 477.20 g/mol.
Where can I buy (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)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)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7,8-dimethoxy-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)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.