![4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine structure](/static/products/197/197456-40-9.png)
4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
TL;DR: 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine (CAS 197456-40-9) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
Also Known As: 5h-pyrrolo[2,3-d]pyrimidine,4-(methylthio)-, 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine, 4-(methylsulfanyl)-5H-pyrrolo[2,3-d]pyrimidine, 2-methylsulfanyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.4569 |
| Topological Polar Surface Area | 38.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 308.55405 |
Chemical Identifiers
| CAS Number | 197456-40-9 |
|---|---|
| SMILES | CSC1=NC=NC2=C1CC=N2 |
Product Overview
4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine (CAS 197456-40-9), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
Property Insights of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 1.4569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine. With a topological polar surface area (TPSA) of 38.14 Ų, 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylsulfanyl-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-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine is 197456-40-9.
What is the molecular formula of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine is C7H7N3S.
What is the molecular weight of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine is 165.04 g/mol.
Where can I buy 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 4-methylsulfanyl-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-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.