![3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one structure](/static/products/887/887201-83-4.png)
3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one (CAS 887201-83-4) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Also Known As: F2147-0579, 3-(3-methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one, 1,2,3,5-Tetrahydro-3-(3-methoxyphenyl)-2-thioxo-4H-pyrimido[5,4-b]indol-4-one, 3-(3-methoxyphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3-methoxyphenyl)-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.53819 |
| Topological Polar Surface Area | 62.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 1153.8857 |
Chemical Identifiers
| CAS Number | 887201-83-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S |
Product Overview
3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one (CAS 887201-83-4), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: 3-(3-methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
The XLogP value of 3.53819 indicates that 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one has 2 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-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one is 887201-83-4.
What is the molecular formula of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one is C17H13N3O2S.
What is the molecular weight of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one is 323.07 g/mol.
Where can I buy 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-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-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxyphenyl)-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.