![3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896845-63-9.png)
3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one (CAS 896845-63-9) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one, 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimid[5,4-b]indol-4-one, 3-(2-(1H-imidazol-4-yl)ethyl)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(1H-imidazol-4-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 896845-63-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CN=CN4 |
| InChIKey | ZQADPMREBMIOJQ-UHFFFAOYSA-N |
Product Overview
3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one (CAS 896845-63-9), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one has 2 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-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one is 896845-63-9.
What is the molecular formula of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one is C16H15N5O2.
What is the molecular weight of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one is 309.12 g/mol.
Where can I buy 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-[2-(1H-imidazol-5-yl)ethyl]-7-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-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.