![3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/400/400772-28-3.png)
3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 400772-28-3) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethoxyphenyl)methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(3,5-dimethoxyphenyl)methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 2.9519 |
| Topological Polar Surface Area | 78.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 1170.9901 |
Chemical Identifiers
| CAS Number | 400772-28-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC4=CC(=CC(=C4)OC)OC |
Product Overview
3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 400772-28-3), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: 3-[(3,5-dimethoxyphenyl)methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.9519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 78.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 5 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-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 400772-28-3.
What is the molecular formula of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H19N3O4.
What is the molecular weight of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 365.14 g/mol.
Where can I buy 3-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3,5-dimethoxybenzyl)-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-(3,5-dimethoxybenzyl)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethoxybenzyl)-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.