RefChem:448041
TL;DR: RefChem:448041 (CAS 477313-48-7) is a chemical compound with molecular formula C26H24ClN3O2S2 and molecular weight 509.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
Also Known As: 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide, 2-((3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)-N-(2,5-DIMETHYLPHENYL)ACETAMIDE, 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide, 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
| Molecular Formula | C26H24ClN3O2S2 |
|---|---|
| Molecular Weight | 509.10 g/mol |
| LogP | 6.32704 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.09985 |
| Heavy Atoms | 34 |
| Complexity | 1457.9202 |
Chemical Identifiers
| CAS Number | 477313-48-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
RefChem:448041 (CAS 477313-48-7), with molecular formula C26H24ClN3O2S2 and molecular weight 509.10 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:448041
Property Insights of RefChem:448041
The XLogP value of 6.32704 indicates that RefChem:448041 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:448041. Following Lipinski's Rule of Five, RefChem:448041 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:448041?
The CAS number of RefChem:448041 is 477313-48-7.
What is the molecular formula of RefChem:448041?
The molecular formula of RefChem:448041 is C26H24ClN3O2S2.
What is the molecular weight of RefChem:448041?
The molecular weight of RefChem:448041 is 509.10 g/mol.
Where can I buy RefChem:448041?
You can request a quote for RefChem:448041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.