RefChem:448065
TL;DR: RefChem:448065 (CAS 586994-97-0) is a chemical compound with molecular formula C27H20ClN3O2S2 and molecular weight 517.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: SALOR-INT L417327-1EA, 2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-{[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N-(1-NAPHTHYL)ACETAMIDE, 2-((3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)-N-(1-NAPHTHYL)ACETAMIDE, 2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)]-N-naphthylacetamide
| Molecular Formula | C27H20ClN3O2S2 |
|---|---|
| Molecular Weight | 517.07 g/mol |
| LogP | 6.4733 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.06854 |
| Heavy Atoms | 35 |
| Complexity | 1652.4944 |
Chemical Identifiers
| CAS Number | 586994-97-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC5=CC=CC=C54)C6=CC=C(C=C6)Cl |
Product Overview
RefChem:448065 (CAS 586994-97-0), with molecular formula C27H20ClN3O2S2 and molecular weight 517.07 g/mol. IUPAC: 2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of RefChem:448065
Property Insights of RefChem:448065
The XLogP value of 6.4733 indicates that RefChem:448065 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:448065. Following Lipinski's Rule of Five, RefChem:448065 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:448065?
The CAS number of RefChem:448065 is 586994-97-0.
What is the molecular formula of RefChem:448065?
The molecular formula of RefChem:448065 is C27H20ClN3O2S2.
What is the molecular weight of RefChem:448065?
The molecular weight of RefChem:448065 is 517.07 g/mol.
Where can I buy RefChem:448065?
You can request a quote for RefChem:448065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448065?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.