脱氢雄酮
TL;DR: 脱氢雄酮 (CAS 2283-82-1) is a chemical compound with molecular formula C7H9ClN2S and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氢雄酮
4-chloro-2-ethylsulfanyl-6-methylpyrimidine
Also Known As: 4-Chloro-2-(ethylthio)-6-methylpyrimidine, pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-, S(CC)c1nc(C)cc(Cl)n1, 4-chloro-2-ethylsulfanyl-6-methylpyrimidine, 4-Chloro-2-Ethylsulfanyl-6-Methyl-Pyrimidine
| Molecular Formula | C7H9ClN2S |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.0175 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2283-82-1 |
|---|---|
| SMILES | CCSC1=NC(=CC(=N1)Cl)C |
| InChIKey | MBCOOEDCZBVFEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脱氢雄酮 (CAS 2283-82-1), with molecular formula C7H9ClN2S and molecular weight 188.02 g/mol. IUPAC: 4-chloro-2-ethylsulfanyl-6-methylpyrimidine.
Chemical Property Profile of 脱氢雄酮
Property Insights of 脱氢雄酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 脱氢雄酮. With a topological polar surface area (TPSA) of 51.1 Ų, 脱氢雄酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脱氢雄酮 has 0 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 脱氢雄酮?
The CAS number of 脱氢雄酮 is 2283-82-1.
What is the molecular formula of 脱氢雄酮?
The molecular formula of 脱氢雄酮 is C7H9ClN2S.
What is the molecular weight of 脱氢雄酮?
The molecular weight of 脱氢雄酮 is 188.02 g/mol.
Where can I buy 脱氢雄酮?
You can request a quote for 脱氢雄酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氢雄酮?
Yes, KEHONG BIO provides custom synthesis services for 脱氢雄酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.