RefChem:528976
TL;DR: RefChem:528976 (CAS 733030-56-3) is a chemical compound with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-chloroethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-(1-chloroethyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-(1-Chloroethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 5-(1-Chloroethyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 2-(1-chloroethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-(1-chloroethyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C13H15ClN2OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.4092 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05936 |
| Heavy Atoms | 18 |
| Complexity | 658.7904 |
Chemical Identifiers
| CAS Number | 733030-56-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)Cl |
Product Overview
RefChem:528976 (CAS 733030-56-3), with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol. IUPAC: 2-(1-chloroethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:528976
Property Insights of RefChem:528976
The XLogP value of 3.4092 indicates that RefChem:528976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, RefChem:528976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:528976 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 RefChem:528976?
The CAS number of RefChem:528976 is 733030-56-3.
What is the molecular formula of RefChem:528976?
The molecular formula of RefChem:528976 is C13H15ClN2OS.
What is the molecular weight of RefChem:528976?
The molecular weight of RefChem:528976 is 282.06 g/mol.
Where can I buy RefChem:528976?
You can request a quote for RefChem:528976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:528976?
Yes, KEHONG BIO provides custom synthesis services for RefChem:528976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.