![9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/877/877802-69-2.png)
9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (CAS 877802-69-2) is a chemical compound with molecular formula C16H14ClN5O and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one, 3-(3-(1H-imidazol-1-yl)propyl)-9-chloro-3H-pyrimido[5,4-b]indol-4(5H)-one, 9-chloro-3-[3-(1H-imidazol-1-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C16H14ClN5O |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.818 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.08868 |
| Heavy Atoms | 23 |
| Complexity | 1031.9265 |
Chemical Identifiers
| CAS Number | 877802-69-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4 |
Product Overview
9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one (CAS 877802-69-2), with molecular formula C16H14ClN5O and molecular weight 327.09 g/mol. IUPAC: 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 3 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 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is 877802-69-2.
What is the molecular formula of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is C16H14ClN5O.
What is the molecular weight of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one is 327.09 g/mol.
Where can I buy 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 9-chloro-3-(3-imidazol-1-ylpropyl)-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 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-3-(3-imidazol-1-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.