RefChem:827976
TL;DR: RefChem:827976 (CAS 5539-49-1) is a chemical compound with molecular formula C28H28N4O5S2 and molecular weight 564.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: Salor-int l226386-1ea, N-(5-Acetamido-2-methoxyphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 648-713-1, N-(5-(Acetylamino)-2-methoxyphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5, 6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
| Molecular Formula | C28H28N4O5S2 |
|---|---|
| Molecular Weight | 564.15 g/mol |
| LogP | 5.0324 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 564.1501 |
| Heavy Atoms | 39 |
| Complexity | 1611.2334 |
Chemical Identifiers
| CAS Number | 5539-49-1 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC |
Product Overview
RefChem:827976 (CAS 5539-49-1), with molecular formula C28H28N4O5S2 and molecular weight 564.15 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:827976
Property Insights of RefChem:827976
The XLogP value of 5.0324 indicates that RefChem:827976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827976. Following Lipinski's Rule of Five, RefChem:827976 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:827976?
The CAS number of RefChem:827976 is 5539-49-1.
What is the molecular formula of RefChem:827976?
The molecular formula of RefChem:827976 is C28H28N4O5S2.
What is the molecular weight of RefChem:827976?
The molecular weight of RefChem:827976 is 564.15 g/mol.
Where can I buy RefChem:827976?
You can request a quote for RefChem:827976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827976?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.