![4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine structure](/static/products/3384/338402-31-6.webp)
4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
TL;DR: 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS 338402-31-6) is a chemical compound with molecular formula C15H14F3N3S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-methylsulfanyl-7-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
Also Known As: 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-5H,6H,7H-pyrrolo[2,3-d]pyrimidine, 4-methyl-2-methylsulfanyl-7-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
| Molecular Formula | C15H14F3N3S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 4.21992 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.08606 |
| Heavy Atoms | 22 |
| Complexity | 698.41425 |
Chemical Identifiers
| CAS Number | 338402-31-6 |
|---|---|
| SMILES | CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS 338402-31-6), with molecular formula C15H14F3N3S and molecular weight 325.09 g/mol. IUPAC: 4-methyl-2-methylsulfanyl-7-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Property Insights of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 4.21992 indicates that 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has 0 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 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is 338402-31-6.
What is the molecular formula of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is C15H14F3N3S.
What is the molecular weight of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is 325.09 g/mol.
Where can I buy 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-(methylsulfanyl)-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.