![3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/858/858769-13-8.png)
3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858769-13-8) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.5489 |
| Topological Polar Surface Area | 109.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 1242.2764 |
Chemical Identifiers
| CAS Number | 858769-13-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CC(=C(C=C4)O)O)OC |
Product Overview
3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858769-13-8), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: 3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.5489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 109.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one has 3 hydrogen bond donor(s) and 6 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-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 858769-13-8.
What is the molecular formula of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H19N3O5.
What is the molecular weight of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 381.13 g/mol.
Where can I buy 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-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-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydroxyphenethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.