![3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/4894/489442-94-6.webp)
3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 489442-94-6) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Also Known As: 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-benzyl-8-methoxy-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one, 3-benzyl-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one, 3-Benzyl-8-methoxy-2-thioxo-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H15N3O2S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | 3.59729 |
| Topological Polar Surface Area | 62.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0885 |
| Heavy Atoms | 24 |
| Complexity | 1156.0287 |
Chemical Identifiers
| CAS Number | 489442-94-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=CC=C4 |
Product Overview
3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 489442-94-6), with molecular formula C18H15N3O2S and molecular weight 337.09 g/mol. IUPAC: 3-benzyl-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.59729 indicates that 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[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-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[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-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 489442-94-6.
What is the molecular formula of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C18H15N3O2S.
What is the molecular weight of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 337.09 g/mol.
Where can I buy 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[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-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-methoxy-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.