![3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/374/374084-57-8.png)
3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one (CAS 374084-57-8) is a chemical compound with molecular formula C27H21N5O2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one, (E)-3-(((1-benzyl-1H-indol-3-yl)methylene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-{[(E)-(1-benzyl-1H-indol-3-yl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C27H21N5O2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.7716 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.16953 |
| Heavy Atoms | 34 |
| Complexity | 1742.0057 |
Chemical Identifiers
| CAS Number | 374084-57-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6 |
Product Overview
3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one (CAS 374084-57-8), with molecular formula C27H21N5O2 and molecular weight 447.17 g/mol. IUPAC: 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.7716 indicates that 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 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-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one is 374084-57-8.
What is the molecular formula of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one is C27H21N5O2.
What is the molecular weight of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one is 447.17 g/mol.
Where can I buy 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-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-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.