![2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/888/888441-01-8.png)
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 888441-01-8) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F1882-1463, 2-((2,5-dimethylbenzyl)thio)-3-(2-methoxyethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.43334 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1209.824 |
Chemical Identifiers
| CAS Number | 888441-01-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43 |
Product Overview
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 888441-01-8), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.43334 indicates that 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-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, 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-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, 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 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 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 888441-01-8.
What is the molecular formula of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C22H23N3O2S.
What is the molecular weight of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 393.15 g/mol.
Where can I buy 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-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 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.