![7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/858/858737-79-8.png)
7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858737-79-8) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7,8-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 7,8-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.1463 |
| Topological Polar Surface Area | 78.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 1192.4429 |
Chemical Identifiers
| CAS Number | 858737-79-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC |
Product Overview
7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858737-79-8), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 7,8-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.1463 indicates that 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 7,8-dimethoxy-3-(4-methoxyphenethyl)-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 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 858737-79-8.
What is the molecular formula of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H21N3O4.
What is the molecular weight of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 379.15 g/mol.
Where can I buy 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 7,8-dimethoxy-3-(4-methoxyphenethyl)-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 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-3-(4-methoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.