RefChem:826981
TL;DR: RefChem:826981 (CAS 477329-77-4) is a chemical compound with molecular formula C25H24N4O5S3 and molecular weight 556.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-[3-(4-methoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-(4-sulfamoylphenyl)acetamide, 2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-{[4-(4-methoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C25H24N4O5S3 |
|---|---|
| Molecular Weight | 556.09 g/mol |
| LogP | 3.7128 |
| Topological Polar Surface Area | 133.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 556.0909 |
| Heavy Atoms | 37 |
| Complexity | 1643.1462 |
Chemical Identifiers
| CAS Number | 477329-77-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)SC5=C3CCCC5 |
Product Overview
RefChem:826981 (CAS 477329-77-4), with molecular formula C25H24N4O5S3 and molecular weight 556.09 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of RefChem:826981
Property Insights of RefChem:826981
The XLogP value of 3.7128 indicates that RefChem:826981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826981. Following Lipinski's Rule of Five, RefChem:826981 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:826981?
The CAS number of RefChem:826981 is 477329-77-4.
What is the molecular formula of RefChem:826981?
The molecular formula of RefChem:826981 is C25H24N4O5S3.
What is the molecular weight of RefChem:826981?
The molecular weight of RefChem:826981 is 556.09 g/mol.
Where can I buy RefChem:826981?
You can request a quote for RefChem:826981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.