ChemDiv1_012561
TL;DR: ChemDiv1_012561 (CAS 362501-63-1) is a chemical compound with molecular formula C18H16FN5O2S4 and molecular weight 481.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_012561, F0513-0182, F0579-0514, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C18H16FN5O2S4 |
|---|---|
| Molecular Weight | 481.02 g/mol |
| LogP | 3.7141 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.0171 |
| Heavy Atoms | 30 |
| Complexity | 1132.5957 |
Chemical Identifiers
| CAS Number | 362501-63-1 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)SCC3 |
Product Overview
ChemDiv1_012561 (CAS 362501-63-1), with molecular formula C18H16FN5O2S4 and molecular weight 481.02 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_012561
Property Insights of ChemDiv1_012561
The XLogP value of 3.7141 indicates that ChemDiv1_012561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012561. Following Lipinski's Rule of Five, ChemDiv1_012561 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012561?
The CAS number of ChemDiv1_012561 is 362501-63-1.
What is the molecular formula of ChemDiv1_012561?
The molecular formula of ChemDiv1_012561 is C18H16FN5O2S4.
What is the molecular weight of ChemDiv1_012561?
The molecular weight of ChemDiv1_012561 is 481.02 g/mol.
Where can I buy ChemDiv1_012561?
You can request a quote for ChemDiv1_012561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012561?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.