![3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/896/896593-88-7.png)
3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896593-88-7) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-methoxyphenyl)ethyl]-5,8-dimethylpyrimido[5,4-b]indol-4-one
Also Known As: 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(2-methoxyphenyl)ethyl]-5,8-dimethylpyrimido[5,4-b]indol-4-one, 3-[2-(2-methoxyphenyl)ethyl]-5,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, Opera_ID_1352
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 896593-88-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CCC4=CC=CC=C4OC)C |
| InChIKey | FGMQTAGYPINWGD-UHFFFAOYSA-N |
Product Overview
3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896593-88-7), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 3-[2-(2-methoxyphenyl)ethyl]-5,8-dimethylpyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.6 indicates that 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, 3-(2-methoxyphenethyl)-5,8-dimethyl-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-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 0 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-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 896593-88-7.
What is the molecular formula of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H21N3O2.
What is the molecular weight of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 347.16 g/mol.
Where can I buy 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(2-methoxyphenethyl)-5,8-dimethyl-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-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyphenethyl)-5,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.