![3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/987/98791-95-8.png)
3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 98791-95-8) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-benzyl-8-methoxy-5H-pyrimido[5,4-b]indol-4-one, 3-benzyl-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 2.9347 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 1048.4347 |
Chemical Identifiers
| CAS Number | 98791-95-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC=CC=C4 |
Product Overview
3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 98791-95-8), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: 3-benzyl-8-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 59.91 Ų, 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-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 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 98791-95-8.
What is the molecular formula of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H15N3O2.
What is the molecular weight of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 305.12 g/mol.
Where can I buy 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.