RefChem:826417
TL;DR: RefChem:826417 (CAS 477330-67-9) is a chemical compound with molecular formula C25H22ClN3O3S2 and molecular weight 511.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(3-Chlorophenyl)-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-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 650-540-1, N-(3-Chlorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(3-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H22ClN3O3S2 |
|---|---|
| Molecular Weight | 511.08 g/mol |
| LogP | 5.7188 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.0791 |
| Heavy Atoms | 34 |
| Complexity | 1430.1128 |
Chemical Identifiers
| CAS Number | 477330-67-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC=C4)Cl)SC5=C3CCCC5 |
Product Overview
RefChem:826417 (CAS 477330-67-9), with molecular formula C25H22ClN3O3S2 and molecular weight 511.08 g/mol. IUPAC: N-(3-chlorophenyl)-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:826417
Property Insights of RefChem:826417
The XLogP value of 5.7188 indicates that RefChem:826417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826417. Following Lipinski's Rule of Five, RefChem:826417 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:826417?
The CAS number of RefChem:826417 is 477330-67-9.
What is the molecular formula of RefChem:826417?
The molecular formula of RefChem:826417 is C25H22ClN3O3S2.
What is the molecular weight of RefChem:826417?
The molecular weight of RefChem:826417 is 511.08 g/mol.
Where can I buy RefChem:826417?
You can request a quote for RefChem:826417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.