RefChem:825137
TL;DR: RefChem:825137 (CAS 586993-85-3) is a chemical compound with molecular formula C22H24ClN3O2S2 and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(2-Chloro-4,6-dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2-chloro-4,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 638-185-0, N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-((3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETAMIDE, N-(2-chloro-4,6-dimethylphenyl)-2-({4-ethyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
| Molecular Formula | C22H24ClN3O2S2 |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 5.35774 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.09985 |
| Heavy Atoms | 30 |
| Complexity | 1176.2864 |
Chemical Identifiers
| CAS Number | 586993-85-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3Cl)C)C)SC4=C2CCCC4 |
Product Overview
RefChem:825137 (CAS 586993-85-3), with molecular formula C22H24ClN3O2S2 and molecular weight 461.10 g/mol. IUPAC: N-(2-chloro-4,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825137
Property Insights of RefChem:825137
The XLogP value of 5.35774 indicates that RefChem:825137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825137. Following Lipinski's Rule of Five, RefChem:825137 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:825137?
The CAS number of RefChem:825137 is 586993-85-3.
What is the molecular formula of RefChem:825137?
The molecular formula of RefChem:825137 is C22H24ClN3O2S2.
What is the molecular weight of RefChem:825137?
The molecular weight of RefChem:825137 is 461.10 g/mol.
Where can I buy RefChem:825137?
You can request a quote for RefChem:825137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825137?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.