![3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536706-94-2.webp)
3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536706-94-2) is a chemical compound with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0447, 3-(3-methoxyphenyl)-2-((4-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C25H21N3O2S |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.47632 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.13544 |
| Heavy Atoms | 31 |
| Complexity | 1451.9369 |
Chemical Identifiers
| CAS Number | 536706-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536706-94-2), with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol. IUPAC: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 5.47632 indicates that 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536706-94-2.
What is the molecular formula of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C25H21N3O2S.
What is the molecular weight of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 427.14 g/mol.
Where can I buy 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-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-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.