![3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/374/374698-17-6.png)
3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 374698-17-6) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, AI-020/08315036
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.4148 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 708.49335 |
Chemical Identifiers
| CAS Number | 374698-17-6 |
|---|---|
| SMILES | CN1C=NC2=C(C1=O)NC3=CC=CC=C32 |
Product Overview
3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 374698-17-6), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 1.4148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-methyl-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-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 2 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-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 374698-17-6.
What is the molecular formula of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C11H9N3O.
What is the molecular weight of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 199.07 g/mol.
Where can I buy 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-methyl-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-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.