RefChem:826227
TL;DR: RefChem:826227 (CAS 477313-40-9) is a chemical compound with molecular formula C24H19BrClN3O2S2 and molecular weight 558.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(3-bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-Bromophenyl)-2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 647-918-3, N-(3-Bromophenyl)-2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(3-bromophenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C24H19BrClN3O2S2 |
|---|---|
| Molecular Weight | 558.98 g/mol |
| LogP | 6.4727 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.97906 |
| Heavy Atoms | 33 |
| Complexity | 1415.9945 |
Chemical Identifiers
| CAS Number | 477313-40-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)NC5=CC(=CC=C5)Br |
Product Overview
RefChem:826227 (CAS 477313-40-9), with molecular formula C24H19BrClN3O2S2 and molecular weight 558.98 g/mol. IUPAC: N-(3-bromophenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:826227
Property Insights of RefChem:826227
The XLogP value of 6.4727 indicates that RefChem:826227 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:826227. Following Lipinski's Rule of Five, RefChem:826227 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:826227?
The CAS number of RefChem:826227 is 477313-40-9.
What is the molecular formula of RefChem:826227?
The molecular formula of RefChem:826227 is C24H19BrClN3O2S2.
What is the molecular weight of RefChem:826227?
The molecular weight of RefChem:826227 is 558.98 g/mol.
Where can I buy RefChem:826227?
You can request a quote for RefChem:826227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.