![3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/299/299409-07-7.png)
3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 299409-07-7) is a chemical compound with molecular formula C17H11N5O3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, (E)-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H11N5O3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 2.6682 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.08618 |
| Heavy Atoms | 25 |
| Complexity | 1188.5852 |
Chemical Identifiers
| CAS Number | 299409-07-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 299409-07-7), with molecular formula C17H11N5O3 and molecular weight 333.09 g/mol. IUPAC: 3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.6682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 1 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 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 299409-07-7.
What is the molecular formula of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C17H11N5O3.
What is the molecular weight of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 333.09 g/mol.
Where can I buy 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-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)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.