![4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine structure](/static/products/906/90662-12-7.png)
4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine
TL;DR: 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine (CAS 90662-12-7) is a chemical compound with molecular formula C7H5Cl2N3S and molecular weight 232.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Also Known As: 4,6-DICHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE, 4,6-dichloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine, 5097AC, 1H-Imidazo[4,5-b]pyrazine,2-methyl-, 6-dichloro-2-(methylthio)-7h-pyrrolo[2
| Molecular Formula | C7H5Cl2N3S |
|---|---|
| Molecular Weight | 232.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.95813 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 90662-12-7 |
|---|---|
| SMILES | CSC1=NC2=C(C=C(N2)Cl)C(=N1)Cl |
| InChIKey | AYLKWJLSXAICBZ-UHFFFAOYSA-N |
Product Overview
4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine (CAS 90662-12-7), with molecular formula C7H5Cl2N3S and molecular weight 232.96 g/mol. IUPAC: 4,6-dichloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine
Property Insights of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine
The XLogP value of 3.4 indicates that 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine. Following Lipinski's Rule of Five, 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine has 1 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 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine?
The CAS number of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine is 90662-12-7.
What is the molecular formula of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine?
The molecular formula of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine is C7H5Cl2N3S.
What is the molecular weight of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine?
The molecular weight of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine is 232.96 g/mol.
Where can I buy 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine?
You can request a quote for 4,6-Dichloro-2-(methylthio)-7H-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 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.