![4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine structure](/static/products/575/57566-70-8.png)
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
TL;DR: 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine (CAS 57566-70-8) is a chemical compound with molecular formula C7H6ClN3S and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Also Known As: 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine, Not Available, 4-chloro-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-2-methylthiopyrrolo[2,3-d]pyrimidine
| Molecular Formula | C7H6ClN3S |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.3332 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.9971 |
| Heavy Atoms | 12 |
| Complexity | 411.94373 |
Chemical Identifiers
| CAS Number | 57566-70-8 |
|---|---|
| SMILES | CSC1=NC2=C(C=CN2)C(=N1)Cl |
Product Overview
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine (CAS 57566-70-8), with molecular formula C7H6ClN3S and molecular weight 199.00 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Property Insights of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
The XLogP value of 2.3332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine. With a topological polar surface area (TPSA) of 41.57 Ų, 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-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-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
The CAS number of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine is 57566-70-8.
What is the molecular formula of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
The molecular formula of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine is C7H6ClN3S.
What is the molecular weight of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
The molecular weight of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine is 199.00 g/mol.
Where can I buy 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
You can request a quote for 4-chloro-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-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.